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CAS 10139-05-6 D-Proline, 1-amino- (9CI) molecular structure lightbox
CAS RN: 10139-05-6

D-Proline, 1-amino- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10139-05-6
  • Purity/Analytical Methods: >99.0%
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10139-05-6 / (2R)-1-aminopyrrolidine-2-carboxylic acid

aminoproline | RefChem:915701 | 1-amino-l-proline

Standard CAS: 10139-05-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10139-05-6
Multi CAS
Yes
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
C1C[C@@H](N(C1)N)C(=O)O
InChI
InChI=1S/C5H10N2O2/c6-7-3-1-2-4(7)5(8)9/h4H,1-3,6H2,(H,8,9)/t4-/m1/s1
InChIKey
OUCUOMVLTQBZCY-SCSAIBSYSA-N
Synonyms
aminoproline RefChem:915701 1-amino-l-proline N-amino-L-proline Proline, 1-amino-

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.55
TPSA
66.56

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.53
XLogP3
-2.1
Consensus LogP
-1.07
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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