2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid

C13H16N2O4 — CID 115412235

IUPAC2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)NC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-5-6-11(10(7-9)12(16)17)15-13(18)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFXVMWNDFUMEXFD-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.07
Rot. Bonds4

About 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid

2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid (PubChem CID 115412235) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
PubChem CID115412235
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)NC2CCC2)c(C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-5-6-11(10(7-9)12(16)17)15-13(18)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFXVMWNDFUMEXFD-UHFFFAOYSA-N
XLogP2.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-5-methoxybenzoic acid
CID 104829305
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid?
The IUPAC name of 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid (CID 115412235) is 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid?
The canonical SMILES for 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid is COc1ccc(NC(=O)NC2CCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid?
The InChIKey is FXVMWNDFUMEXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-9-5-6-11(10(7-9)12(16)17)15-13(18)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid?
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid is sourced from PubChem (CID 115412235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).