3-amino-2,4-dihydroxybutanoic acid

C4H9NO4 — CID 14888070

IUPAC3-amino-2,4-dihydroxybutanoic acid
SMILESNC(CO)C(O)C(=O)O
InChIInChI=1S/C4H9NO4/c5-2(1-6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)
InChIKeyMLDBXFQIDVIWHU-UHFFFAOYSA-N
MW135.12 g/mol
LogP-2.25
Rot. Bonds3

About 3-amino-2,4-dihydroxybutanoic acid

3-amino-2,4-dihydroxybutanoic acid (PubChem CID 14888070) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 3-amino-2,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name3-amino-2,4-dihydroxybutanoic acid
PubChem CID14888070
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name3-amino-2,4-dihydroxybutanoic acid
SMILESNC(CO)C(O)C(=O)O
InChIInChI=1S/C4H9NO4/c5-2(1-6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)
InChIKeyMLDBXFQIDVIWHU-UHFFFAOYSA-N
XLogP-2.25
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
5-amino-2,4,6-trihydroxyhexan-3-one
CID 150230549
2,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 18767454
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
(2R,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
CID 133126863
(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
CID 57365622
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
(2S,3R)-3-amino-2-hydroxynonanoic acid
CID 87495768

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dihydroxybutanoic acid?
The IUPAC name of 3-amino-2,4-dihydroxybutanoic acid (CID 14888070) is 3-amino-2,4-dihydroxybutanoic acid.
What is the SMILES notation for 3-amino-2,4-dihydroxybutanoic acid?
The canonical SMILES for 3-amino-2,4-dihydroxybutanoic acid is NC(CO)C(O)C(=O)O.
What is the InChIKey of 3-amino-2,4-dihydroxybutanoic acid?
The InChIKey is MLDBXFQIDVIWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c5-2(1-6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9).
What are the key properties of 3-amino-2,4-dihydroxybutanoic acid?
3-amino-2,4-dihydroxybutanoic acid has a molecular weight of 135.12 g/mol, XLogP of -2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dihydroxybutanoic acid is sourced from PubChem (CID 14888070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).