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

C11H14N2O3 — CID 78972566

IUPAC(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)ccc1N
InChIInChI=1S/C11H14N2O3/c1-6-5-8(3-4-9(6)12)10(14)13-7(2)11(15)16/h3-5,7H,12H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyPABCIBQDGFRGKR-SSDOTTSWSA-N
MW222.24 g/mol
LogP0.78
Rot. Bonds3

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

(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid (PubChem CID 78972566) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
PubChem CID78972566
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)ccc1N
InChIInChI=1S/C11H14N2O3/c1-6-5-8(3-4-9(6)12)10(14)13-7(2)11(15)16/h3-5,7H,12H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyPABCIBQDGFRGKR-SSDOTTSWSA-N
XLogP0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
(2S)-2-[(4-amino-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61161701
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methylbenzamide
CID 113268975
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid (CID 78972566) is (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid is Cc1cc(C(=O)N[C@H](C)C(=O)O)ccc1N.
What is the InChIKey of (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is PABCIBQDGFRGKR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-5-8(3-4-9(6)12)10(14)13-7(2)11(15)16/h3-5,7H,12H2,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid?
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 78972566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).