2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid

C11H12ClNO4 — CID 118800972

IUPAC2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid
SMILESCC(Cl)C(=O)c1cc(N)ccc1C(O)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-5(12)9(14)8-4-6(13)2-3-7(8)10(15)11(16)17/h2-5,10,15H,13H2,1H3,(H,16,17)
InChIKeyLQLSPPRNGYGEEM-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid

2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid (PubChem CID 118800972) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid
PubChem CID118800972
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid
SMILESCC(Cl)C(=O)c1cc(N)ccc1C(O)C(=O)O
InChIInChI=1S/C11H12ClNO4/c1-5(12)9(14)8-4-6(13)2-3-7(8)10(15)11(16)17/h2-5,10,15H,13H2,1H3,(H,16,17)
InChIKeyLQLSPPRNGYGEEM-UHFFFAOYSA-N
XLogP1.20
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-sulfanylphenyl)-2-chloropropan-1-one
CID 118804186
ethyl 5-amino-2-(2-chloropropanoyl)benzoate
CID 134644200
5-amino-2-(2-chloropropanoyl)benzonitrile
CID 118832387
2-[2-(2-bromopropanoyl)-4-hydroxyphenyl]-2-hydroxyacetic acid
CID 135741131
2-[2-(2-bromopropanoyl)-4-iodophenyl]-2-hydroxyacetic acid
CID 134657453
2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134657139
2-[4-amino-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 118812332
2-[5-(2-chloropropanoyl)-2-methoxyphenyl]-2-hydroxyacetic acid
CID 135740936
1-[2,5-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640748
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one
CID 57095758
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid (CID 118800972) is 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid is CC(Cl)C(=O)c1cc(N)ccc1C(O)C(=O)O.
What is the InChIKey of 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is LQLSPPRNGYGEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-5(12)9(14)8-4-6(13)2-3-7(8)10(15)11(16)17/h2-5,10,15H,13H2,1H3,(H,16,17).
What are the key properties of 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid?
2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 257.67 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(2-chloropropanoyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118800972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).