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CAS 1187931-23-2 (R)-2-AMINOMETHYL-1-N-CBZ-PYRROLIDINE molecular structure lightbox
CAS RN: 1187931-23-2

(R)-2-AMINOMETHYL-1-N-CBZ-PYRROLIDINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251217 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-018844
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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, 5g, 10g
  • 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 1187931-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1187931-23-2 / benzyl (2R)-2-(aminomethyl)pyrrolidine-1-carboxylate

Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate | 2-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester | (S)-2-(AMINOMETHYL)-1-CBZ-PYRROLIDINE

Standard CAS: 1187931-23-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187931-23-2
Multi CAS
Yes
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)CN
InChI
InChI=1S/C13H18N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1
InChIKey
NQGRCKNDDGCZPV-GFCCVEGCSA-N
Synonyms
Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate 2-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester (S)-2-(AMINOMETHYL)-1-CBZ-PYRROLIDINE 2-(Aminomethyl)-1-Cbz-pyrrolidine MFCD06658394

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.41
TPSA
55.56

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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