1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C17H22N2O5 — CID 56816635

IUPAC1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C17H22N2O5/c1-18-15(21)11-5-6-13(24-2)12(9-11)19-14(20)10-17(16(22)23)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOPDDYCMYVMGYAS-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 56816635) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID56816635
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C17H22N2O5/c1-18-15(21)11-5-6-13(24-2)12(9-11)19-14(20)10-17(16(22)23)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOPDDYCMYVMGYAS-UHFFFAOYSA-N
XLogP2.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806
1-[2-(3-hydroxy-4-methoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 118579996
1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535570
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 56816635) is 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CNC(=O)c1ccc(OC)c(NC(=O)CC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is OPDDYCMYVMGYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18-15(21)11-5-6-13(24-2)12(9-11)19-14(20)10-17(16(22)23)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 56816635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).