2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid

C12H15NO3 — CID 60657051

IUPAC2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
SMILESCc1ccc(CC(=O)NCC(=O)O)cc1C
InChIInChI=1S/C12H15NO3/c1-8-3-4-10(5-9(8)2)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZIXALIDUFNIKOP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.05
Rot. Bonds4

About 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid

2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid (PubChem CID 60657051) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
PubChem CID60657051
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
SMILESCc1ccc(CC(=O)NCC(=O)O)cc1C
InChIInChI=1S/C12H15NO3/c1-8-3-4-10(5-9(8)2)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZIXALIDUFNIKOP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
5-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682556
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid (CID 60657051) is 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid is Cc1ccc(CC(=O)NCC(=O)O)cc1C.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid?
The InChIKey is ZIXALIDUFNIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-3-4-10(5-9(8)2)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid?
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 60657051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).