4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid

C14H18N2O4 — CID 107208023

IUPAC4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-8-9(4-5-10(11)12(17)18)16-13(19)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOQOIFTLUNVGCFG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.60
Rot. Bonds4

About 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid

4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid (PubChem CID 107208023) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
PubChem CID107208023
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-8-9(4-5-10(11)12(17)18)16-13(19)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOQOIFTLUNVGCFG-UHFFFAOYSA-N
XLogP1.60
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid (CID 107208023) is 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)C2(N)CCCC2)ccc1C(=O)O.
What is the InChIKey of 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is OQOIFTLUNVGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11-8-9(4-5-10(11)12(17)18)16-13(19)14(15)6-2-3-7-14/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid?
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).