2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 64815927

IUPAC2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-11-7-9-12(10-8-11)17-16(21)18-14-6-3-5-13(14)15(19)20/h7-10,13-14H,2-6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFYGSWLMRHCWKEY-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds5

About 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815927) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815927
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCCc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-11-7-9-12(10-8-11)17-16(21)18-14-6-3-5-13(14)15(19)20/h7-10,13-14H,2-6H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFYGSWLMRHCWKEY-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

cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
CID 115340883
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64815927) is 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CCCc1ccc(NC(=O)NC2CCCC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FYGSWLMRHCWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-11-7-9-12(10-8-11)17-16(21)18-14-6-3-5-13(14)15(19)20/h7-10,13-14H,2-6H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic 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 2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).