sodium;(3S)-3-amino-4-oxobutanoic acid;hydride

C4H8NNaO3 — CID 175446278

IUPACsodium;(3S)-3-amino-4-oxobutanoic acid;hydride
SMILESN[C@H](C=O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H7NO3.Na.H/c5-3(2-6)1-4(7)8;;/h2-3H,1,5H2,(H,7,8);;/q;+1;-1/t3-;;/m0../s1
InChIKeyFYRDMMVMULMTSQ-QTNFYWBSSA-N
MW141.10 g/mol
LogP-3.90
Rot. Bonds3

About sodium;(3S)-3-amino-4-oxobutanoic acid;hydride

sodium;(3S)-3-amino-4-oxobutanoic acid;hydride (PubChem CID 175446278) has the molecular formula C4H8NNaO3 and a molecular weight of 141.10 g/mol. Its IUPAC name is sodium;(3S)-3-amino-4-oxobutanoic acid;hydride.

Molecular Properties

Compound Namesodium;(3S)-3-amino-4-oxobutanoic acid;hydride
PubChem CID175446278
Molecular FormulaC4H8NNaO3
Molecular Weight141.10 g/mol
Exact Mass141.04
IUPAC Namesodium;(3S)-3-amino-4-oxobutanoic acid;hydride
SMILESN[C@H](C=O)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H7NO3.Na.H/c5-3(2-6)1-4(7)8;;/h2-3H,1,5H2,(H,7,8);;/q;+1;-1/t3-;;/m0../s1
InChIKeyFYRDMMVMULMTSQ-QTNFYWBSSA-N
XLogP-3.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-3.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-4-oxobutanamide;ethene;methane
CID 158060763
4-amino-5-oxopentanoic acid;dihydrochloride
CID 23172563
(4S)-4-amino-5-oxopentanoic acid;methane
CID 162048399
(3S)-3-amino-N-methyl-4-oxobutanamide
CID 57098200
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-amino-4,5-dioxopentanoic acid
CID 89053272
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
2-aminobutanedioic acid;but-2-enedioic acid
CID 173065727
sodium;3,4-diaminopentanoic acid;hydride;iron
CID 173404535
strontium;2-aminobutanedioic acid;hydride
CID 174538201
3-(1-carboxy-3-oxopropan-2-yl)oxy-4-oxobutanoic acid
CID 54490256

Frequently Asked Questions

What is the IUPAC name of sodium;(3S)-3-amino-4-oxobutanoic acid;hydride?
The IUPAC name of sodium;(3S)-3-amino-4-oxobutanoic acid;hydride (CID 175446278) is sodium;(3S)-3-amino-4-oxobutanoic acid;hydride.
What is the SMILES notation for sodium;(3S)-3-amino-4-oxobutanoic acid;hydride?
The canonical SMILES for sodium;(3S)-3-amino-4-oxobutanoic acid;hydride is N[C@H](C=O)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;(3S)-3-amino-4-oxobutanoic acid;hydride?
The InChIKey is FYRDMMVMULMTSQ-QTNFYWBSSA-N. The full InChI is InChI=1S/C4H7NO3.Na.H/c5-3(2-6)1-4(7)8;;/h2-3H,1,5H2,(H,7,8);;/q;+1;-1/t3-;;/m0../s1.
What are the key properties of sodium;(3S)-3-amino-4-oxobutanoic acid;hydride?
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride has a molecular weight of 141.10 g/mol, XLogP of -3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(3S)-3-amino-4-oxobutanoic acid;hydride is sourced from PubChem (CID 175446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).