2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid

C17H22N2O4 — CID 119199006

IUPAC2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-4-17(3,16(22)23)19-14(20)11-6-5-7-12(9-11)18-15(21)13-8-10(13)2/h5-7,9-10,13H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyJHALPRICVMKURN-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid

2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid (PubChem CID 119199006) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
PubChem CID119199006
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)O
InChIInChI=1S/C17H22N2O4/c1-4-17(3,16(22)23)19-14(20)11-6-5-7-12(9-11)18-15(21)13-8-10(13)2/h5-7,9-10,13H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyJHALPRICVMKURN-UHFFFAOYSA-N
XLogP2.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid (CID 119199006) is 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid is CCC(C)(NC(=O)c1cccc(NC(=O)C2CC2C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
The InChIKey is JHALPRICVMKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-17(3,16(22)23)19-14(20)11-6-5-7-12(9-11)18-15(21)13-8-10(13)2/h5-7,9-10,13H,4,8H2,1-3H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid?
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid has a molecular weight of 318.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119199006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).