(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide

C15H22N2O2 — CID 111116843

IUPAC(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-2-6-12-7-3-4-9-14(12)16-15(19)17-10-5-8-13(17)11-18/h3-4,7,9,13,18H,2,5-6,8,10-11H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyHEOABRKEVYVNGC-ZDUSSCGKSA-N
MW262.35 g/mol
LogP2.63
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide (PubChem CID 111116843) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
PubChem CID111116843
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-2-6-12-7-3-4-9-14(12)16-15(19)17-10-5-8-13(17)11-18/h3-4,7,9,13,18H,2,5-6,8,10-11H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyHEOABRKEVYVNGC-ZDUSSCGKSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
CID 63747068
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104605
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
CID 91650901
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810
N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 19960574
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide (CID 111116843) is (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide is CCCc1ccccc1NC(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HEOABRKEVYVNGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-6-12-7-3-4-9-14(12)16-15(19)17-10-5-8-13(17)11-18/h3-4,7,9,13,18H,2,5-6,8,10-11H2,1H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.63, 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-(2-propylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111116843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).