(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide

C19H22N2O2 — CID 125150269

IUPAC(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C19H22N2O2/c22-16-11-18(20-12-16)19(23)21-13-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,20,22H,11-13H2,(H,21,23)/t16-,18+/m1/s1
InChIKeyCOHSQSZXZPZKKR-AEFFLSMTSA-N
MW310.40 g/mol
LogP1.66
Rot. Bonds5

About (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125150269) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125150269
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C19H22N2O2/c22-16-11-18(20-12-16)19(23)21-13-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,20,22H,11-13H2,(H,21,23)/t16-,18+/m1/s1
InChIKeyCOHSQSZXZPZKKR-AEFFLSMTSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 125135014
N-(2,3-diphenylpropyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119803955
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 114010288
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119832268
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2R,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide (CID 125150269) is (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is COHSQSZXZPZKKR-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-16-11-18(20-12-16)19(23)21-13-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,20,22H,11-13H2,(H,21,23)/t16-,18+/m1/s1.
What are the key properties of (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125150269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).