2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid

C12H15NO3 — CID 62390110

IUPAC2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8-4-3-5-10(6-8)7-11(14)13-9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCNHMYYYNNKWRNF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds4

About 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid

2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 62390110) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
PubChem CID62390110
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1cccc(CC(=O)NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8-4-3-5-10(6-8)7-11(14)13-9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCNHMYYYNNKWRNF-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2S)-N-[(2R)-2-amino-2-phenylacetyl]-2-[[2-(3-methylphenyl)acetyl]amino]propanamide
CID 140999664
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
(2R)-2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906532
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 62389198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid (CID 62390110) is 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid is Cc1cccc(CC(=O)NC(C)C(=O)O)c1.
What is the InChIKey of 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is CNHMYYYNNKWRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-3-5-10(6-8)7-11(14)13-9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid?
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62390110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).