2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid

C13H18N2O3 — CID 62638790

IUPAC2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
SMILESCNC(C)C(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O3/c1-9-4-6-11(7-5-9)15(8-12(16)17)13(18)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,16,17)
InChIKeyVHDDFURQNDUTKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid

2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid (PubChem CID 62638790) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
PubChem CID62638790
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
SMILESCNC(C)C(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O3/c1-9-4-6-11(7-5-9)15(8-12(16)17)13(18)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,16,17)
InChIKeyVHDDFURQNDUTKM-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641
2-(N-[(2S)-2-amino-3-methylpentanoyl]-4-methylanilino)acetic acid
CID 15615026
2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylanilino)acetic acid
CID 61160496
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
2-(N-[3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]-4-methylanilino)acetic acid
CID 58153730
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid (CID 62638790) is 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid is CNC(C)C(=O)N(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid?
The InChIKey is VHDDFURQNDUTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-6-11(7-5-9)15(8-12(16)17)13(18)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid?
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid is sourced from PubChem (CID 62638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).