1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid

C17H21NO3 — CID 82765677

IUPAC1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NO3/c1-16(15(20)21)9-5-8-13(16)18-14(19)17(10-11-17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyNVFHHRHNCKCOSV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds4

About 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid

1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82765677) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82765677
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NO3/c1-16(15(20)21)9-5-8-13(16)18-14(19)17(10-11-17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyNVFHHRHNCKCOSV-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide
CID 114631181
2-[[2-(4-bromophenyl)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760341
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764290
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763842
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765685
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763944
2-(1H-indole-3-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765821

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid (CID 82765677) is 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NVFHHRHNCKCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-16(15(20)21)9-5-8-13(16)18-14(19)17(10-11-17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).