4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid

C10H12ClNO3 — CID 105487348

IUPAC4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
SMILESNc1c(Cl)cccc1C(O)CCC(=O)O
InChIInChI=1S/C10H12ClNO3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5,12H2,(H,14,15)
InChIKeyKEDJQNZGENPCTK-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.82
Rot. Bonds4

About 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid

4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid (PubChem CID 105487348) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
PubChem CID105487348
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
SMILESNc1c(Cl)cccc1C(O)CCC(=O)O
InChIInChI=1S/C10H12ClNO3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5,12H2,(H,14,15)
InChIKeyKEDJQNZGENPCTK-UHFFFAOYSA-N
XLogP1.82
TPSA83.55 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 ≤ 51.82
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

1-(2-amino-3-chlorophenyl)butane-1,4-diol
CID 105469278
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
CID 117472463
2-(2-amino-3-chlorophenyl)-5,5-dimethylhexanoic acid
CID 106987495
2-(2-amino-3-chlorophenyl)-3-ethylpentanoic acid
CID 106987514
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
4,4-bis(2-aminophenyl)butanoic acid
CID 139607855
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid?
The IUPAC name of 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid (CID 105487348) is 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid is Nc1c(Cl)cccc1C(O)CCC(=O)O.
What is the InChIKey of 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid?
The InChIKey is KEDJQNZGENPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5,12H2,(H,14,15).
What are the key properties of 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid?
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid has a molecular weight of 229.66 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 105487348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).