(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide

C19H26N2O3 — CID 97209312

IUPAC(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C19H26N2O3/c1-20(13-14-7-2-3-8-14)19(24)16-10-6-12-21(16)18(23)15-9-4-5-11-17(15)22/h4-5,9,11,14,16,22H,2-3,6-8,10,12-13H2,1H3/t16-/m0/s1
InChIKeyQCJHQUVRXHFRAQ-INIZCTEOSA-N
MW330.43 g/mol
LogP2.65
Rot. Bonds4

About (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide

(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 97209312) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID97209312
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C19H26N2O3/c1-20(13-14-7-2-3-8-14)19(24)16-10-6-12-21(16)18(23)15-9-4-5-11-17(15)22/h4-5,9,11,14,16,22H,2-3,6-8,10,12-13H2,1H3/t16-/m0/s1
InChIKeyQCJHQUVRXHFRAQ-INIZCTEOSA-N
XLogP2.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
1-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 127325677
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 94011491
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
4-[[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]-methylamino]butanoic acid
CID 119173387
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(2-hydroxyphenyl)-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 84594199
N-(3-amino-2,2-dimethylpropyl)-1-[2-(difluoromethoxy)benzoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119655035
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 97209312) is (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide is CN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QCJHQUVRXHFRAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20(13-14-7-2-3-8-14)19(24)16-10-6-12-21(16)18(23)15-9-4-5-11-17(15)22/h4-5,9,11,14,16,22H,2-3,6-8,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide?
(2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylmethyl)-1-(2-hydroxybenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 97209312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).