(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide

C12H16N2O2 — CID 101392822

IUPAC(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](O)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C12H16N2O2/c15-11(9-5-2-1-3-6-9)14-12(16)10-7-4-8-13-10/h1-3,5-6,10-11,13,15H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyZAMUSNKRSMOYRS-QWRGUYRKSA-N
MW220.27 g/mol
LogP0.55
Rot. Bonds3

About (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 101392822) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID101392822
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](O)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C12H16N2O2/c15-11(9-5-2-1-3-6-9)14-12(16)10-7-4-8-13-10/h1-3,5-6,10-11,13,15H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyZAMUSNKRSMOYRS-QWRGUYRKSA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N'-benzylpyrrolidine-2-carbohydrazide
CID 130007921
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide (CID 101392822) is (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide is O=C(N[C@@H](O)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZAMUSNKRSMOYRS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(9-5-2-1-3-6-9)14-12(16)10-7-4-8-13-10/h1-3,5-6,10-11,13,15H,4,7-8H2,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 101392822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).