4-amino-2-azaniumyl-4-oxobutanoate

C4H8N2O3 — CID 5247114

IUPAC4-amino-2-azaniumyl-4-oxobutanoate
SMILESNC(=O)CC([NH3+])C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
InChIKeyDCXYFEDJOCDNAF-UHFFFAOYSA-N
MW132.12 g/mol
LogP-3.78
Rot. Bonds3

About 4-amino-2-azaniumyl-4-oxobutanoate

4-amino-2-azaniumyl-4-oxobutanoate (PubChem CID 5247114) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 4-amino-2-azaniumyl-4-oxobutanoate.

Molecular Properties

Compound Name4-amino-2-azaniumyl-4-oxobutanoate
PubChem CID5247114
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name4-amino-2-azaniumyl-4-oxobutanoate
SMILESNC(=O)CC([NH3+])C(=O)[O-]
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
InChIKeyDCXYFEDJOCDNAF-UHFFFAOYSA-N
XLogP-3.78
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-3.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-azaniumyl-4-oxobutanoate?
The IUPAC name of 4-amino-2-azaniumyl-4-oxobutanoate (CID 5247114) is 4-amino-2-azaniumyl-4-oxobutanoate.
What is the SMILES notation for 4-amino-2-azaniumyl-4-oxobutanoate?
The canonical SMILES for 4-amino-2-azaniumyl-4-oxobutanoate is NC(=O)CC([NH3+])C(=O)[O-].
What is the InChIKey of 4-amino-2-azaniumyl-4-oxobutanoate?
The InChIKey is DCXYFEDJOCDNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9).
What are the key properties of 4-amino-2-azaniumyl-4-oxobutanoate?
4-amino-2-azaniumyl-4-oxobutanoate has a molecular weight of 132.12 g/mol, XLogP of -3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-azaniumyl-4-oxobutanoate is sourced from PubChem (CID 5247114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).