3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid

C16H22N2O3 — CID 107274081

IUPAC3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
SMILESCC1CCCC1NC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-4-8-13(11)17-16(21)18-14-7-3-2-6-12(14)9-10-15(19)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCFBBNXVNXABDSS-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds5

About 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid

3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid (PubChem CID 107274081) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
PubChem CID107274081
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid
SMILESCC1CCCC1NC(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-4-8-13(11)17-16(21)18-14-7-3-2-6-12(14)9-10-15(19)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCFBBNXVNXABDSS-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 95339721
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
1-[(1R,2R)-2-methylcyclohexyl]-3-(1-methylindol-3-yl)urea
CID 40519549
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid (CID 107274081) is 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid is CC1CCCC1NC(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid?
The InChIKey is CFBBNXVNXABDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-4-8-13(11)17-16(21)18-14-7-3-2-6-12(14)9-10-15(19)20/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid?
3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylcyclopentyl)carbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 107274081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).