cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

C20H27NO3 — CID 120676617

IUPACcis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCCC1
InChIInChI=1S/C20H27NO3/c1-14-7-3-4-8-17(14)20(11-5-2-6-12-20)19(24)21-16-10-9-15(13-16)18(22)23/h3-4,7-8,15-16H,2,5-6,9-13H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyMJCFYHGBQANMKU-JKSUJKDBSA-N
MW329.44 g/mol
LogP3.57
Rot. Bonds4

About cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676617) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676617
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Namecis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCCC1
InChIInChI=1S/C20H27NO3/c1-14-7-3-4-8-17(14)20(11-5-2-6-12-20)19(24)21-16-10-9-15(13-16)18(22)23/h3-4,7-8,15-16H,2,5-6,9-13H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyMJCFYHGBQANMKU-JKSUJKDBSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-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

3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
cis-(1S,3R)-3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108651
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 122117216
cis-(1S,3R)-3-[[1-(4-methylphenyl)sulfanylcyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676919
cis-(1S,3R)-3-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675228
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
N-cyclopropyl-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110437552
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676617) is cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCCCC1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MJCFYHGBQANMKU-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14-7-3-4-8-17(14)20(11-5-2-6-12-20)19(24)21-16-10-9-15(13-16)18(22)23/h3-4,7-8,15-16H,2,5-6,9-13H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).