3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid

C14H20N2O3 — CID 55096511

IUPAC3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
SMILESCNC(C)C(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)16(9-8-13(17)18)14(19)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3,(H,17,18)
InChIKeyRYNHXWPQXOZDKB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

About 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid

3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid (PubChem CID 55096511) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
PubChem CID55096511
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
SMILESCNC(C)C(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)16(9-8-13(17)18)14(19)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3,(H,17,18)
InChIKeyRYNHXWPQXOZDKB-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-(N-(4-amino-2-methylbutanoyl)-2-methylanilino)propanoic acid
CID 80543975
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
3-(N-(2,4-diamino-4-oxobutanoyl)-2-methylanilino)propanoic acid
CID 61162424
3-(N-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylanilino)propanoic acid
CID 104553144
3-[2-methyl-N-(pentan-3-ylcarbamoyl)anilino]propanoic acid
CID 61188137
3-[N-(1-methoxypropan-2-ylcarbamoyl)-2-methylanilino]propanoic acid
CID 61183120
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
CID 62590215
3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid?
The IUPAC name of 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid (CID 55096511) is 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid.
What is the SMILES notation for 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid?
The canonical SMILES for 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid is CNC(C)C(=O)N(CCC(=O)O)c1ccccc1C.
What is the InChIKey of 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid?
The InChIKey is RYNHXWPQXOZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)16(9-8-13(17)18)14(19)11(2)15-3/h4-7,11,15H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid?
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid is sourced from PubChem (CID 55096511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).