2-amino-3-[(4-methylbenzoyl)amino]propanoic acid

C11H14N2O3 — CID 69303250

IUPAC2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(N)C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7-2-4-8(5-3-7)10(14)13-6-9(12)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPYATGFOPAIRKH-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.14
Rot. Bonds4

About 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid

2-amino-3-[(4-methylbenzoyl)amino]propanoic acid (PubChem CID 69303250) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
PubChem CID69303250
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(N)C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-7-2-4-8(5-3-7)10(14)13-6-9(12)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPYATGFOPAIRKH-UHFFFAOYSA-N
XLogP0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-(4-methylphenyl)phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454766
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid (CID 69303250) is 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid is Cc1ccc(C(=O)NCC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid?
The InChIKey is KPYATGFOPAIRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-2-4-8(5-3-7)10(14)13-6-9(12)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid?
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 69303250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).