2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid

C9H20N2O5 — CID 146265314

IUPAC2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(O)C(N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO3/c1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8/h3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;/m0./s1
InChIKeyNZNYVIUTGSSMJK-WCCKRBBISA-N
MW236.27 g/mol
LogP-1.17
Rot. Bonds4

About 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid

2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 146265314) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
PubChem CID146265314
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(O)C(N)C(=O)O
InChIInChI=1S/C5H11NO2.C4H9NO3/c1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8/h3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;/m0./s1
InChIKeyNZNYVIUTGSSMJK-WCCKRBBISA-N
XLogP-1.17
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
CID 87185843
CID 87185843
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid (CID 146265314) is 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)O.CC(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
The InChIKey is NZNYVIUTGSSMJK-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO3/c1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8/h3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t4-;/m0./s1.
What are the key properties of 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid?
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 236.27 g/mol, XLogP of -1.17, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 146265314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).