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CAS 101555-60-6 BOC-D-BETA-HOMOPROLINE molecular structure lightbox
CAS RN: 101555-60-6

BOC-D-BETA-HOMOPROLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002374
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g, 0.1g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101555-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 4 In Stock Shenzhen Inquiry
100g >97% 4 In Stock Shanghai Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry

101555-60-6 / 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid

(S)-2-(1-Boc-2-pyrrolidinyl)acetic acid | (2S)-1-((1,1-Dimethylethoxy)carbonyl)-2-pyrrolidineacetic acid | (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid

Standard CAS: 101555-60-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101555-60-6
Multi CAS
Yes
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKey
GDWKIRLZWQQMIE-MRVPVSSYSA-N
Synonyms
(S)-2-(1-Boc-2-pyrrolidinyl)acetic acid (2S)-1-((1,1-Dimethylethoxy)carbonyl)-2-pyrrolidineacetic acid (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid RefChem:407863 611-392-3

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.21
TPSA
66.84

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.2
Consensus LogP
1.57
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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