2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid

C15H21NO4 — CID 62539659

IUPAC2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Cc1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10-4-5-11(2)12(8-10)9-14(17)16-13(15(18)19)6-7-20-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAIIWFRNGLPQLCR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds7

About 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid

2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid (PubChem CID 62539659) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
PubChem CID62539659
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Cc1cc(C)ccc1C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10-4-5-11(2)12(8-10)9-14(17)16-13(15(18)19)6-7-20-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAIIWFRNGLPQLCR-UHFFFAOYSA-N
XLogP1.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-5-oxopentanoic acid
CID 107829986
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113272106
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
CID 120703020
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[(2,5-dimethylphenyl)methylcarbamoylamino]pentanoic acid
CID 60707388
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid (CID 62539659) is 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)Cc1cc(C)ccc1C)C(=O)O.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid?
The InChIKey is AIIWFRNGLPQLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-4-5-11(2)12(8-10)9-14(17)16-13(15(18)19)6-7-20-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid?
2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).