2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid

C14H20N2O3 — CID 61195133

IUPAC2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCCC(C)N(C)C(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-10(3)16(4)14(19)15-12-9(2)7-6-8-11(12)13(17)18/h6-8,10H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDZECBJBTFPFZDT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds4

About 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid

2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid (PubChem CID 61195133) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid
PubChem CID61195133
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCCC(C)N(C)C(=O)Nc1c(C)cccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-10(3)16(4)14(19)15-12-9(2)7-6-8-11(12)13(17)18/h6-8,10H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyDZECBJBTFPFZDT-UHFFFAOYSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-cyanoethyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61184001
3-methyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63858814
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[(2-chloro-6-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 66253516
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylbenzoic acid
CID 61198378
3-methyl-2-(pent-1-yn-3-ylcarbamoylamino)benzoic acid
CID 106232069
3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
2-bromo-5-[[butan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113281206
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61196807

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid (CID 61195133) is 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid is CCC(C)N(C)C(=O)Nc1c(C)cccc1C(=O)O.
What is the InChIKey of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The InChIKey is DZECBJBTFPFZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-10(3)16(4)14(19)15-12-9(2)7-6-8-11(12)13(17)18/h6-8,10H,5H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 61195133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).