1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C14H17N3O4 — CID 107809508

IUPAC1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H17N3O4/c15-11(18)9-4-3-5-10(8-9)16-13(21)17-14(12(19)20)6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyCRTWTMCGWRKKRJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.30
Rot. Bonds4

About 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 107809508) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID107809508
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H17N3O4/c15-11(18)9-4-3-5-10(8-9)16-13(21)17-14(12(19)20)6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyCRTWTMCGWRKKRJ-UHFFFAOYSA-N
XLogP1.30
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide
CID 131942717
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988

Frequently Asked Questions

What is the IUPAC name of 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 107809508) is 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is NC(=O)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CRTWTMCGWRKKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-11(18)9-4-3-5-10(8-9)16-13(21)17-14(12(19)20)6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H2,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107809508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).