3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C15H18N2O4 — CID 103549959

IUPAC3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)9-3-2-4-12(8-9)17-14(19)10-5-6-11(7-10)15(20)21/h2-4,8,10-11H,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyOMIMYZBTKMOBDZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.49
Rot. Bonds4

About 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549959) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549959
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)9-3-2-4-12(8-9)17-14(19)10-5-6-11(7-10)15(20)21/h2-4,8,10-11H,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyOMIMYZBTKMOBDZ-UHFFFAOYSA-N
XLogP1.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103549959) is 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is CNC(=O)c1cccc(NC(=O)C2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is OMIMYZBTKMOBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-13(18)9-3-2-4-12(8-9)17-14(19)10-5-6-11(7-10)15(20)21/h2-4,8,10-11H,5-7H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).