(2S)-2-amino-3,3-dihydroxybutanoic acid

C4H9NO4 — CID 144692818

IUPAC(2S)-2-amino-3,3-dihydroxybutanoic acid
SMILESCC(O)(O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO4/c1-4(8,9)2(5)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m1/s1
InChIKeyDKZPJXTUJKXJOX-UWTATZPHSA-N
MW135.12 g/mol
LogP-1.90
Rot. Bonds2

About (2S)-2-amino-3,3-dihydroxybutanoic acid

(2S)-2-amino-3,3-dihydroxybutanoic acid (PubChem CID 144692818) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dihydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dihydroxybutanoic acid
PubChem CID144692818
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2S)-2-amino-3,3-dihydroxybutanoic acid
SMILESCC(O)(O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO4/c1-4(8,9)2(5)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m1/s1
InChIKeyDKZPJXTUJKXJOX-UWTATZPHSA-N
XLogP-1.90
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
CID 175737812
2-amino-4-hydroxy-3,3-dimethylpentanoic acid
CID 11997558
(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 10857188
bis((2R)-2-amino-3-methyl-3-sulfanylbutanoic acid);mercury;sulfane
CID 173462825
(2S)-2-amino-3-(3-hydroxy-3-methylbutyl)sulfanyl-3-methylbutanoic acid
CID 106443558
(2S,3R)-2-amino-4,4,4-trideuterio-3-methyl-3-sulfanylbutanoic acid
CID 25240785
2-amino-3-methyl-3-(methyldisulfanyl)butanoic acid
CID 130442227
2-amino-3,3-dihydroxypentanedioic acid
CID 87266041
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
CID 57426035
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;trithiaselenetane
CID 88623637

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dihydroxybutanoic acid?
The IUPAC name of (2S)-2-amino-3,3-dihydroxybutanoic acid (CID 144692818) is (2S)-2-amino-3,3-dihydroxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3,3-dihydroxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3,3-dihydroxybutanoic acid is CC(O)(O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3,3-dihydroxybutanoic acid?
The InChIKey is DKZPJXTUJKXJOX-UWTATZPHSA-N. The full InChI is InChI=1S/C4H9NO4/c1-4(8,9)2(5)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dihydroxybutanoic acid?
(2S)-2-amino-3,3-dihydroxybutanoic acid has a molecular weight of 135.12 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dihydroxybutanoic acid is sourced from PubChem (CID 144692818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).