(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid

C4H9NO4 — CID 141435473

IUPAC(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNO
InChIInChI=1S/C4H9NO4/c6-3(4(7)8)1-2-5-9/h3,5-6,9H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKeyLQYGWXVWALPNIZ-VKHMYHEASA-N
MW135.12 g/mol
LogP-1.20
Rot. Bonds4

About (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid

(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid (PubChem CID 141435473) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
PubChem CID141435473
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNO
InChIInChI=1S/C4H9NO4/c6-3(4(7)8)1-2-5-9/h3,5-6,9H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKeyLQYGWXVWALPNIZ-VKHMYHEASA-N
XLogP-1.20
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
CID 146208300
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
copper;2-hydroxy-5-sulfanylpentanoic acid
CID 87839246
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid (CID 141435473) is (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid is O=C(O)[C@@H](O)CCNO.
What is the InChIKey of (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid?
The InChIKey is LQYGWXVWALPNIZ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO4/c6-3(4(7)8)1-2-5-9/h3,5-6,9H,1-2H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid?
(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid has a molecular weight of 135.12 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(hydroxyamino)butanoic acid is sourced from PubChem (CID 141435473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).