2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid

C12H14N2O3 — CID 61187186

IUPAC2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC1CC1
InChIInChI=1S/C12H14N2O3/c1-7-3-2-4-9(11(15)16)10(7)14-12(17)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyATRGHUKCUOQHJE-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.98
Rot. Bonds3

About 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid

2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid (PubChem CID 61187186) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
PubChem CID61187186
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC1CC1
InChIInChI=1S/C12H14N2O3/c1-7-3-2-4-9(11(15)16)10(7)14-12(17)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyATRGHUKCUOQHJE-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
CID 61197742
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80714704
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
3-methyl-2-[(4-methylsulfanylcyclohexyl)amino]benzoic acid
CID 114124313
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid (CID 61187186) is 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid?
The InChIKey is ATRGHUKCUOQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-3-2-4-9(11(15)16)10(7)14-12(17)13-8-5-6-8/h2-4,8H,5-6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid?
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid is sourced from PubChem (CID 61187186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).