5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid

C11H11ClN2O3 — CID 65464876

IUPAC5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
SMILESNC1(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)CC1
InChIInChI=1S/C11H11ClN2O3/c12-8-2-1-6(5-7(8)9(15)16)14-10(17)11(13)3-4-11/h1-2,5H,3-4,13H2,(H,14,17)(H,15,16)
InChIKeyMXHSABWJZOVUBO-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.47
Rot. Bonds3

About 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid

5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid (PubChem CID 65464876) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
PubChem CID65464876
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
SMILESNC1(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)CC1
InChIInChI=1S/C11H11ClN2O3/c12-8-2-1-6(5-7(8)9(15)16)14-10(17)11(13)3-4-11/h1-2,5H,3-4,13H2,(H,14,17)(H,15,16)
InChIKeyMXHSABWJZOVUBO-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-aminocyclopropanecarbonyl)amino]-2-bromobenzoic acid
CID 113281134
1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-ethylbenzamide
CID 131910931
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119776899
1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid?
The IUPAC name of 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid (CID 65464876) is 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid is NC1(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid?
The InChIKey is MXHSABWJZOVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-8-2-1-6(5-7(8)9(15)16)14-10(17)11(13)3-4-11/h1-2,5H,3-4,13H2,(H,14,17)(H,15,16).
What are the key properties of 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid?
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid has a molecular weight of 254.67 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid is sourced from PubChem (CID 65464876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).