2-(2-acetamidophenyl)-2-aminoacetic acid

C10H12N2O3 — CID 21317152

IUPAC2-(2-acetamidophenyl)-2-aminoacetic acid
SMILESCC(=O)Nc1ccccc1C(N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLXCDQZGNDXSWDC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-acetamidophenyl)-2-aminoacetic acid

2-(2-acetamidophenyl)-2-aminoacetic acid (PubChem CID 21317152) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-2-aminoacetic acid.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-2-aminoacetic acid
PubChem CID21317152
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(2-acetamidophenyl)-2-aminoacetic acid
SMILESCC(=O)Nc1ccccc1C(N)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyLXCDQZGNDXSWDC-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-acetamidophenyl)propanoate
CID 15064955
N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
N-[2-(1-hydroxybutyl)phenyl]acetamide
CID 19836950
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
2-(2-acetamidophenyl)-N-hydroxy-2-phenylacetamide;bicyclo[2.2.0]hexa-1,3,5-triene
CID 135320610
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
N-[2-(methylamino)phenyl]acetamide
CID 22950987

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-2-aminoacetic acid?
The IUPAC name of 2-(2-acetamidophenyl)-2-aminoacetic acid (CID 21317152) is 2-(2-acetamidophenyl)-2-aminoacetic acid.
What is the SMILES notation for 2-(2-acetamidophenyl)-2-aminoacetic acid?
The canonical SMILES for 2-(2-acetamidophenyl)-2-aminoacetic acid is CC(=O)Nc1ccccc1C(N)C(=O)O.
What is the InChIKey of 2-(2-acetamidophenyl)-2-aminoacetic acid?
The InChIKey is LXCDQZGNDXSWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(13)12-8-5-3-2-4-7(8)9(11)10(14)15/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-acetamidophenyl)-2-aminoacetic acid?
2-(2-acetamidophenyl)-2-aminoacetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-2-aminoacetic acid is sourced from PubChem (CID 21317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).