(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid

C14H15NO3 — CID 22884858

IUPAC(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC[C@H]1C=C[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H15NO3/c16-13(11-4-2-1-3-5-11)15-9-10-6-7-12(8-10)14(17)18/h1-7,10,12H,8-9H2,(H,15,16)(H,17,18)/t10-,12-/m0/s1
InChIKeyNFEGQMSOGZKKGC-JQWIXIFHSA-N
MW245.28 g/mol
LogP1.69
Rot. Bonds4

About (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid

(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid (PubChem CID 22884858) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid
PubChem CID22884858
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC[C@H]1C=C[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H15NO3/c16-13(11-4-2-1-3-5-11)15-9-10-6-7-12(8-10)14(17)18/h1-7,10,12H,8-9H2,(H,15,16)(H,17,18)/t10-,12-/m0/s1
InChIKeyNFEGQMSOGZKKGC-JQWIXIFHSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid 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

(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
N-[[5-(benzamidomethyl)-1,2,4-trithiolan-3-yl]methyl]benzamide
CID 51064847
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-(nitrosomethyl)benzamide
CID 91609331
N-(1,3-dioxolan-4-ylmethyl)benzamide
CID 69336579
N-ethylbenzamide
CID 160772566
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625
N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
CID 70238920
N-[4-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-4-oxobutyl]benzamide
CID 111661232
N-ethylbenzamide;hydrochloride
CID 57444995

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid (CID 22884858) is (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid is O=C(NC[C@H]1C=C[C@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is NFEGQMSOGZKKGC-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(11-4-2-1-3-5-11)15-9-10-6-7-12(8-10)14(17)18/h1-7,10,12H,8-9H2,(H,15,16)(H,17,18)/t10-,12-/m0/s1.
What are the key properties of (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid?
(1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(benzamidomethyl)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 22884858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).