1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H20N2O4 — CID 45312610

IUPAC1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20N2O4/c1-17-14(20)11-4-6-12(7-5-11)18-13(19)10-16(15(21)22)8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyNICIKHFKZYTUOB-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.02
Rot. Bonds5

About 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 45312610) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID45312610
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20N2O4/c1-17-14(20)11-4-6-12(7-5-11)18-13(19)10-16(15(21)22)8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyNICIKHFKZYTUOB-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-methylbenzamide
CID 81413347
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 45312610) is 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CNC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is NICIKHFKZYTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-17-14(20)11-4-6-12(7-5-11)18-13(19)10-16(15(21)22)8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 45312610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).