(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide

C15H22N2O2 — CID 129467437

IUPAC(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@H](CCO)c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c18-9-7-13(12-4-2-1-3-5-12)11-17-15(19)14-6-8-16-10-14/h1-5,13-14,16,18H,6-11H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyIOWCSIGSNKHUGH-KBPBESRZSA-N
MW262.35 g/mol
LogP0.88
Rot. Bonds6

About (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide

(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide (PubChem CID 129467437) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
PubChem CID129467437
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@H](CCO)c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C15H22N2O2/c18-9-7-13(12-4-2-1-3-5-12)11-17-15(19)14-6-8-16-10-14/h1-5,13-14,16,18H,6-11H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyIOWCSIGSNKHUGH-KBPBESRZSA-N
XLogP0.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
CID 119326534
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(3-methyl-2-phenylbutyl)piperidine-3-carboxamide
CID 119294119
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
N-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 119750683
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
CID 119738367
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide (CID 129467437) is (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide is O=C(NC[C@H](CCO)c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide?
The InChIKey is IOWCSIGSNKHUGH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-9-7-13(12-4-2-1-3-5-12)11-17-15(19)14-6-8-16-10-14/h1-5,13-14,16,18H,6-11H2,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide?
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 129467437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).