1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C16H20N2O3 — CID 61497970

IUPAC1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1CO)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H20N2O3/c19-10-12-3-1-2-4-14(12)17-16(21)13-7-15(20)18(9-13)8-11-5-6-11/h1-4,11,13,19H,5-10H2,(H,17,21)
InChIKeyISHRAOZFUDHKCY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 61497970) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID61497970
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1CO)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H20N2O3/c19-10-12-3-1-2-4-14(12)17-16(21)13-7-15(20)18(9-13)8-11-5-6-11/h1-4,11,13,19H,5-10H2,(H,17,21)
InChIKeyISHRAOZFUDHKCY-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
(3R)-1-(cyclopropylmethyl)-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97016454
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
N-[2-(ethylaminomethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119440503
1-(cyclopropylmethyl)-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429828
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041
N-(2-bromophenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183492
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 61497970) is 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1CO)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ISHRAOZFUDHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-10-12-3-1-2-4-14(12)17-16(21)13-7-15(20)18(9-13)8-11-5-6-11/h1-4,11,13,19H,5-10H2,(H,17,21).
What are the key properties of 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 61497970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).