2-[2-(N-methylanilino)propanoylamino]propanoic acid

C13H18N2O3 — CID 82041910

IUPAC2-[2-(N-methylanilino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)14-12(16)10(2)15(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,17,18)
InChIKeyDFPQZUDGSXRLFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-(N-methylanilino)propanoylamino]propanoic acid

2-[2-(N-methylanilino)propanoylamino]propanoic acid (PubChem CID 82041910) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(N-methylanilino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(N-methylanilino)propanoylamino]propanoic acid
PubChem CID82041910
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-(N-methylanilino)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)14-12(16)10(2)15(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,17,18)
InChIKeyDFPQZUDGSXRLFJ-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
3-(N-methylanilino)butanoic acid
CID 72755664
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
2-[[(3Z)-2-formyl-3-[methyl(phenyl)hydrazinylidene]butanoyl]amino]propanoic acid
CID 155303767
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
2-[(3-methyl-2-phenoxybutanoyl)amino]propanoic acid
CID 82042687
2-[[2,2-bis(benzoylsulfanyl)acetyl]amino]propanoic acid
CID 13322357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-methylanilino)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(N-methylanilino)propanoylamino]propanoic acid (CID 82041910) is 2-[2-(N-methylanilino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(N-methylanilino)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(N-methylanilino)propanoylamino]propanoic acid is CC(NC(=O)C(C)N(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[2-(N-methylanilino)propanoylamino]propanoic acid?
The InChIKey is DFPQZUDGSXRLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(13(17)18)14-12(16)10(2)15(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[2-(N-methylanilino)propanoylamino]propanoic acid?
2-[2-(N-methylanilino)propanoylamino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methylanilino)propanoylamino]propanoic acid is sourced from PubChem (CID 82041910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).