2-anilino-3-chloro-2-hydroxybutanoic acid

C10H12ClNO3 — CID 141010525

IUPAC2-anilino-3-chloro-2-hydroxybutanoic acid
SMILESCC(Cl)C(O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-7(11)10(15,9(13)14)12-8-5-3-2-4-6-8/h2-7,12,15H,1H3,(H,13,14)
InChIKeyZOWBYKKMWARMQU-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.50
Rot. Bonds4

About 2-anilino-3-chloro-2-hydroxybutanoic acid

2-anilino-3-chloro-2-hydroxybutanoic acid (PubChem CID 141010525) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-anilino-3-chloro-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-anilino-3-chloro-2-hydroxybutanoic acid
PubChem CID141010525
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-anilino-3-chloro-2-hydroxybutanoic acid
SMILESCC(Cl)C(O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C10H12ClNO3/c1-7(11)10(15,9(13)14)12-8-5-3-2-4-6-8/h2-7,12,15H,1H3,(H,13,14)
InChIKeyZOWBYKKMWARMQU-UHFFFAOYSA-N
XLogP1.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-anilino-2-hydroxypropanoic acid
CID 159388558
2-anilino-3-methyl-2-phenylbutanamide
CID 60996428
2-anilino-2-hydroxy-3-(4-methoxyphenyl)-N-methylbutanamide
CID 69214739
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523306
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
2-anilino-2-methylpentanoic acid
CID 60992039
1-(2-chloropropyl)-3-phenylurea
CID 70181020
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-anilino-2-ethyl-4-methylhexanamide
CID 54889196
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
1-anilino-1-chloropropan-1-ol;hydrochloride
CID 141024057
methyl 2-anilinopropanoate
CID 3417283

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-chloro-2-hydroxybutanoic acid?
The IUPAC name of 2-anilino-3-chloro-2-hydroxybutanoic acid (CID 141010525) is 2-anilino-3-chloro-2-hydroxybutanoic acid.
What is the SMILES notation for 2-anilino-3-chloro-2-hydroxybutanoic acid?
The canonical SMILES for 2-anilino-3-chloro-2-hydroxybutanoic acid is CC(Cl)C(O)(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-anilino-3-chloro-2-hydroxybutanoic acid?
The InChIKey is ZOWBYKKMWARMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-7(11)10(15,9(13)14)12-8-5-3-2-4-6-8/h2-7,12,15H,1H3,(H,13,14).
What are the key properties of 2-anilino-3-chloro-2-hydroxybutanoic acid?
2-anilino-3-chloro-2-hydroxybutanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-chloro-2-hydroxybutanoic acid is sourced from PubChem (CID 141010525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).