2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid

C12H13ClN2O3 — CID 81171627

IUPAC2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
SMILESNC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCC1
InChIInChI=1S/C12H13ClN2O3/c13-7-2-3-8(10(16)17)9(6-7)15-11(18)12(14)4-1-5-12/h2-3,6H,1,4-5,14H2,(H,15,18)(H,16,17)
InChIKeyFJGPLWPWRGFYDN-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.86
Rot. Bonds3

About 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid

2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid (PubChem CID 81171627) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
PubChem CID81171627
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
SMILESNC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCC1
InChIInChI=1S/C12H13ClN2O3/c13-7-2-3-8(10(16)17)9(6-7)15-11(18)12(14)4-1-5-12/h2-3,6H,1,4-5,14H2,(H,15,18)(H,16,17)
InChIKeyFJGPLWPWRGFYDN-UHFFFAOYSA-N
XLogP1.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminooxane-4-carbonyl)amino]-4-chlorobenzoic acid
CID 115294490
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 61157387
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-chlorobenzoic acid
CID 115439349
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-amino-N-(4-chloro-2-nitrophenyl)cyclobutane-1-carboxamide
CID 81178795
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid (CID 81171627) is 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid is NC1(C(=O)Nc2cc(Cl)ccc2C(=O)O)CCC1.
What is the InChIKey of 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is FJGPLWPWRGFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-7-2-3-8(10(16)17)9(6-7)15-11(18)12(14)4-1-5-12/h2-3,6H,1,4-5,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid?
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid has a molecular weight of 268.70 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 81171627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).