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CAS 1174020-29-1 Cis-(3R, 4S)-1-Boc-3-aMino-4-hydroxypyrrolidine molecular structure lightbox
CAS RN: 1174020-29-1

Cis-(3R, 4S)-1-Boc-3-aMino-4-hydroxypyrrolidine

  • Product code: SSC-017249
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1174020-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1174020-29-1 / tert-butyl (3R,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate

tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate | MFCD14705159 | Tert-butyl 3-amino-4-hydroxy-pyrrolidine-1-carboxylate

Standard CAS: 1174020-29-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1174020-29-1
Multi CAS
Yes
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)O)N
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7+/m1/s1
InChIKey
MOZOQDNRVPHFOO-RQJHMYQMSA-N
Synonyms
tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate MFCD14705159 Tert-butyl 3-amino-4-hydroxy-pyrrolidine-1-carboxylate 3-Amino-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester 1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.79
TPSA
75.79

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.6
Consensus LogP
-0.25
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P270, P301+P316, P321, P330, P405, and P501

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