2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid

C11H13NO4 — CID 118995862

IUPAC2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)Cc1cccc(C(O)C(=O)O)c1N
InChIInChI=1S/C11H13NO4/c1-6(13)5-7-3-2-4-8(9(7)12)10(14)11(15)16/h2-4,10,14H,5,12H2,1H3,(H,15,16)
InChIKeyPZFBIGNEKRAZEH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid

2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid (PubChem CID 118995862) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
PubChem CID118995862
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
SMILESCC(=O)Cc1cccc(C(O)C(=O)O)c1N
InChIInChI=1S/C11H13NO4/c1-6(13)5-7-3-2-4-8(9(7)12)10(14)11(15)16/h2-4,10,14H,5,12H2,1H3,(H,15,16)
InChIKeyPZFBIGNEKRAZEH-UHFFFAOYSA-N
XLogP0.52
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118825025
2-hydroxy-2-[3-(hydroxymethyl)-2-(2-oxopropyl)phenyl]acetic acid
CID 134657368
2-[3-(bromomethyl)-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135741065
1-(2-amino-3-fluorophenyl)propan-2-one
CID 59383493
2-(2-amino-3-hydrazinylphenyl)-2-hydroxyacetic acid
CID 119012765
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297
2-[5-bromo-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740676
2-[2-amino-3-[hydroxy(phenyl)methyl]phenyl]acetic acid;hydrate
CID 160922205
2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid
CID 118852502
2-[3-(3-chloro-2-oxopropyl)-2-methylphenyl]-2-hydroxyacetic acid
CID 134657772
2-[2-ethoxycarbonyl-3-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134644881
2-[2-ethoxy-3-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656868

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid (CID 118995862) is 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid is CC(=O)Cc1cccc(C(O)C(=O)O)c1N.
What is the InChIKey of 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is PZFBIGNEKRAZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(13)5-7-3-2-4-8(9(7)12)10(14)11(15)16/h2-4,10,14H,5,12H2,1H3,(H,15,16).
What are the key properties of 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid?
2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-oxopropyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118995862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).