3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid

C10H13NO4 — CID 12945708

IUPAC3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid
SMILESNC(Cc1ccccc1O)C(O)C(=O)O
InChIInChI=1S/C10H13NO4/c11-7(9(13)10(14)15)5-6-3-1-2-4-8(6)12/h1-4,7,9,12-13H,5,11H2,(H,14,15)
InChIKeyZXQZPJLPNWDAKG-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.29
Rot. Bonds4

About 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid

3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid (PubChem CID 12945708) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid
PubChem CID12945708
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid
SMILESNC(Cc1ccccc1O)C(O)C(=O)O
InChIInChI=1S/C10H13NO4/c11-7(9(13)10(14)15)5-6-3-1-2-4-8(6)12/h1-4,7,9,12-13H,5,11H2,(H,14,15)
InChIKeyZXQZPJLPNWDAKG-UHFFFAOYSA-N
XLogP-0.29
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-diaminobutyl)phenol
CID 134347246
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid
CID 174936072
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
CID 114331355
2-[(2-hydroxyphenyl)methyl]butanediamide
CID 70063136
2-(2-methylsulfonylpropyl)phenol
CID 115028803
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid?
The IUPAC name of 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid (CID 12945708) is 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid is NC(Cc1ccccc1O)C(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid?
The InChIKey is ZXQZPJLPNWDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-7(9(13)10(14)15)5-6-3-1-2-4-8(6)12/h1-4,7,9,12-13H,5,11H2,(H,14,15).
What are the key properties of 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid?
3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-4-(2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 12945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).