(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid

C10H14N2O4 — CID 22848160

IUPAC(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid
SMILESNc1c(O)cccc1[C@@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H14N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,8,13-14H,4,11-12H2,(H,15,16)/t6-,8-/m0/s1
InChIKeyVOUACZWCAPHKMW-XPUUQOCRSA-N
MW226.23 g/mol
LogP-0.19
Rot. Bonds4

About (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid

(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid (PubChem CID 22848160) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid
PubChem CID22848160
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid
SMILESNc1c(O)cccc1[C@@H](O)C[C@H](N)C(=O)O
InChIInChI=1S/C10H14N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,8,13-14H,4,11-12H2,(H,15,16)/t6-,8-/m0/s1
InChIKeyVOUACZWCAPHKMW-XPUUQOCRSA-N
XLogP-0.19
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-hydroxy-4-phenylbutanoic acid
CID 11997564
2-amino-4-hydroxy-4-phenylbutanoic acid;hydrochloride
CID 71757982
2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
ethyl (3S)-3-(2-amino-3-hydroxyphenyl)butanoate
CID 174422298
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
2-amino-4-(2,5-dihydroxyphenyl)hexanoic acid
CID 174512800
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid?
The IUPAC name of (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid (CID 22848160) is (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid?
The canonical SMILES for (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid is Nc1c(O)cccc1[C@@H](O)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid?
The InChIKey is VOUACZWCAPHKMW-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,8,13-14H,4,11-12H2,(H,15,16)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid?
(2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid has a molecular weight of 226.23 g/mol, XLogP of -0.19, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 22848160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).