2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid

C16H20N2O4 — CID 119199014

IUPAC2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-3-16(2,15(21)22)18-14(20)11-5-4-6-12(9-11)17-13(19)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyODWQWYKRULUAKM-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.02
Rot. Bonds6

About 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid

2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid (PubChem CID 119199014) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
PubChem CID119199014
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)O
InChIInChI=1S/C16H20N2O4/c1-3-16(2,15(21)22)18-14(20)11-5-4-6-12(9-11)17-13(19)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyODWQWYKRULUAKM-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic 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

3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid (CID 119199014) is 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cccc(NC(=O)C2CC2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid?
The InChIKey is ODWQWYKRULUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-16(2,15(21)22)18-14(20)11-5-4-6-12(9-11)17-13(19)10-7-8-10/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid?
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 119199014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).