3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid

C15H20N2O4 — CID 1494019

IUPAC3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,3)14(21)17-11-7-5-4-6-10(11)13(20)16-9-8-12(18)19/h4-7H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeySJXVUWLLBJXPGT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.88
Rot. Bonds5

About 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid

3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid (PubChem CID 1494019) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
PubChem CID1494019
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-15(2,3)14(21)17-11-7-5-4-6-10(11)13(20)16-9-8-12(18)19/h4-7H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeySJXVUWLLBJXPGT-UHFFFAOYSA-N
XLogP1.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]-methylamino]propanoic acid
CID 119362237
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
2-(2,2-dimethylpropanoylamino)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]benzamide
CID 86945247
2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
CID 3252927
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid (CID 1494019) is 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid is CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid?
The InChIKey is SJXVUWLLBJXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)14(21)17-11-7-5-4-6-10(11)13(20)16-9-8-12(18)19/h4-7H,8-9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid?
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 1494019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).