CAS RN: 1187931-58-3
2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187931-58-3
- Purity/Analytical Methods: >99.0%
1187931-58-3 / (2S,3S)-2-phenylpyrrolidine-3-carboxylic acid
2-phenylpyrrolidine-3-carboxylic acid | 2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID | TRANS-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
Basic Information
CAS
1187931-58-3
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
C1CN[C@@H]([C@H]1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)
InChIKey
DQOBFNNHIKEOLB-UHFFFAOYSA-N
Synonyms
2-phenylpyrrolidine-3-carboxylic acid
2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
TRANS-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
starbld0027640
(2R,3R)-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.93
TPSA
49.33
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
-1.3
Consensus LogP
0.46
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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