3-[[4-(methylamino)benzoyl]amino]propanoic acid

C11H14N2O3 — CID 119092205

IUPAC3-[[4-(methylamino)benzoyl]amino]propanoic acid
SMILESCNc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-9-4-2-8(3-5-9)11(16)13-7-6-10(14)15/h2-5,12H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyVYFAJPHMXFCCTP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.93
Rot. Bonds5

About 3-[[4-(methylamino)benzoyl]amino]propanoic acid

3-[[4-(methylamino)benzoyl]amino]propanoic acid (PubChem CID 119092205) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-[[4-(methylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(methylamino)benzoyl]amino]propanoic acid
PubChem CID119092205
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-[[4-(methylamino)benzoyl]amino]propanoic acid
SMILESCNc1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-9-4-2-8(3-5-9)11(16)13-7-6-10(14)15/h2-5,12H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyVYFAJPHMXFCCTP-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529
3-[[4-(carbamothioylamino)benzoyl]amino]propanoic acid
CID 169356062
3-[(4-prop-1-enylbenzoyl)amino]propanoic acid
CID 91596650
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 115161110
3-[[4-[(2-methyl-3-methylsulfanylpropanoyl)amino]benzoyl]amino]propanoic acid
CID 119222954
3-[[4-[(2-hydroxyphenyl)methylamino]benzoyl]amino]propanoic acid
CID 22944663
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(methylamino)benzoyl]amino]propanoic acid (CID 119092205) is 3-[[4-(methylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(methylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(methylamino)benzoyl]amino]propanoic acid is CNc1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[4-(methylamino)benzoyl]amino]propanoic acid?
The InChIKey is VYFAJPHMXFCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-9-4-2-8(3-5-9)11(16)13-7-6-10(14)15/h2-5,12H,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[[4-(methylamino)benzoyl]amino]propanoic acid?
3-[[4-(methylamino)benzoyl]amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119092205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).