3-amino-2-oxobutanoic acid

C4H7NO3 — CID 19011254

IUPAC3-amino-2-oxobutanoic acid
SMILESCC(N)C(=O)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2(5)3(6)4(7)8/h2H,5H2,1H3,(H,7,8)
InChIKeyHLVUBMYREUJGCL-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.01
Rot. Bonds2

About 3-amino-2-oxobutanoic acid

3-amino-2-oxobutanoic acid (PubChem CID 19011254) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 3-amino-2-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-2-oxobutanoic acid
PubChem CID19011254
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3-amino-2-oxobutanoic acid
SMILESCC(N)C(=O)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2(5)3(6)4(7)8/h2H,5H2,1H3,(H,7,8)
InChIKeyHLVUBMYREUJGCL-UHFFFAOYSA-N
XLogP-1.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
3-methyl-2,4-dioxopentanedioic acid
CID 19100434
(2S)-2-aminopropanoic acid;polane
CID 173022618
(2R)-2-aminopropanethioic S-acid;oxalic acid
CID 162046267
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxobutanoic acid?
The IUPAC name of 3-amino-2-oxobutanoic acid (CID 19011254) is 3-amino-2-oxobutanoic acid.
What is the SMILES notation for 3-amino-2-oxobutanoic acid?
The canonical SMILES for 3-amino-2-oxobutanoic acid is CC(N)C(=O)C(=O)O.
What is the InChIKey of 3-amino-2-oxobutanoic acid?
The InChIKey is HLVUBMYREUJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2(5)3(6)4(7)8/h2H,5H2,1H3,(H,7,8).
What are the key properties of 3-amino-2-oxobutanoic acid?
3-amino-2-oxobutanoic acid has a molecular weight of 117.10 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxobutanoic acid is sourced from PubChem (CID 19011254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).