(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide

C15H22N2O2 — CID 14641518

IUPAC(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-14(12-7-4-3-5-8-12)16-15(19)17-10-6-9-13(17)11-18/h3-5,7-8,13-14,18H,2,6,9-11H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyKKZXDLALIYLAMU-UONOGXRCSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide (PubChem CID 14641518) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
PubChem CID14641518
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-14(12-7-4-3-5-8-12)16-15(19)17-10-6-9-13(17)11-18/h3-5,7-8,13-14,18H,2,6,9-11H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyKKZXDLALIYLAMU-UONOGXRCSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
2-(hydroxymethyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428221
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
(2R)-N-(2-cyclohexyl-1-phenylethyl)-2-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 138033561
2-(hydroxymethyl)-N-[1-[3-(trifluoromethyl)phenyl]butyl]pyrrolidine-1-carboxamide
CID 111428204
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 61408635
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide (CID 14641518) is (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccccc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is KKZXDLALIYLAMU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-14(12-7-4-3-5-8-12)16-15(19)17-10-6-9-13(17)11-18/h3-5,7-8,13-14,18H,2,6,9-11H2,1H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 14641518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).