(3S)-3-(hydroxyamino)-4-oxobutanamide

C4H8N2O3 — CID 91203303

IUPAC(3S)-3-(hydroxyamino)-4-oxobutanamide
SMILESNC(=O)C[C@@H](C=O)NO
InChIInChI=1S/C4H8N2O3/c5-4(8)1-3(2-7)6-9/h2-3,6,9H,1H2,(H2,5,8)/t3-/m0/s1
InChIKeyDHIYUROEAXNXGF-VKHMYHEASA-N
MW132.12 g/mol
LogP-1.59
Rot. Bonds4

About (3S)-3-(hydroxyamino)-4-oxobutanamide

(3S)-3-(hydroxyamino)-4-oxobutanamide (PubChem CID 91203303) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (3S)-3-(hydroxyamino)-4-oxobutanamide.

Molecular Properties

Compound Name(3S)-3-(hydroxyamino)-4-oxobutanamide
PubChem CID91203303
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(3S)-3-(hydroxyamino)-4-oxobutanamide
SMILESNC(=O)C[C@@H](C=O)NO
InChIInChI=1S/C4H8N2O3/c5-4(8)1-3(2-7)6-9/h2-3,6,9H,1H2,(H2,5,8)/t3-/m0/s1
InChIKeyDHIYUROEAXNXGF-VKHMYHEASA-N
XLogP-1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxyamino)-4-oxobutanamide?
The IUPAC name of (3S)-3-(hydroxyamino)-4-oxobutanamide (CID 91203303) is (3S)-3-(hydroxyamino)-4-oxobutanamide.
What is the SMILES notation for (3S)-3-(hydroxyamino)-4-oxobutanamide?
The canonical SMILES for (3S)-3-(hydroxyamino)-4-oxobutanamide is NC(=O)C[C@@H](C=O)NO.
What is the InChIKey of (3S)-3-(hydroxyamino)-4-oxobutanamide?
The InChIKey is DHIYUROEAXNXGF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2O3/c5-4(8)1-3(2-7)6-9/h2-3,6,9H,1H2,(H2,5,8)/t3-/m0/s1.
What are the key properties of (3S)-3-(hydroxyamino)-4-oxobutanamide?
(3S)-3-(hydroxyamino)-4-oxobutanamide has a molecular weight of 132.12 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxyamino)-4-oxobutanamide is sourced from PubChem (CID 91203303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).