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CAS 1044637-62-8 1-Isobutyl-L-proline molecular structure lightbox
CAS RN: 1044637-62-8

1-Isobutyl-L-proline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-006225
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1044637-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1044637-62-8 / (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid

1-(2-methylpropyl)pyrrolidine-2-carboxylic acid | RefChem:422550 | 886-254-0

Standard CAS: 1044637-62-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1044637-62-8
Multi CAS
Yes
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
SMILES
CC(C)CN1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H17NO2/c1-7(2)6-10-5-3-4-8(10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey
FVHTZNQHKOBGHA-QMMMGPOBSA-N
Synonyms
1-(2-methylpropyl)pyrrolidine-2-carboxylic acid RefChem:422550 886-254-0 Isobutylproline 1-Isobutylproline

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.07
TPSA
40.54

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
-0.6
Consensus LogP
0.54
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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