2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid

C8H8ClNO3 — CID 119022800

IUPAC2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
SMILESNc1cc(Cl)ccc1C(O)C(=O)O
InChIInChI=1S/C8H8ClNO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKeyVXGOGCBETYPSNF-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid

2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid (PubChem CID 119022800) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
PubChem CID119022800
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
SMILESNc1cc(Cl)ccc1C(O)C(=O)O
InChIInChI=1S/C8H8ClNO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKeyVXGOGCBETYPSNF-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid
CID 119011456
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-[4-chloro-2-(2,4,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633869
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656015
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
2-[4-chloro-2-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 134656362
2-[2-amino-4-(3-bromo-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656155
2-[bis(methylsulfanyl)methyl]-5-chloroaniline
CID 13465657
2-(2,3-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 118826485

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid (CID 119022800) is 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid is Nc1cc(Cl)ccc1C(O)C(=O)O.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid?
The InChIKey is VXGOGCBETYPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13).
What are the key properties of 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid?
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid has a molecular weight of 201.61 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119022800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).