4-aminobutanoic acid;azane

C4H12N2O2 — CID 87254464

IUPAC4-aminobutanoic acid;azane
SMILESN.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.H3N/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H3
InChIKeyWQFOKDDLMNYWDD-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.03
Rot. Bonds3

About 4-aminobutanoic acid;azane

4-aminobutanoic acid;azane (PubChem CID 87254464) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-aminobutanoic acid;azane.

Molecular Properties

Compound Name4-aminobutanoic acid;azane
PubChem CID87254464
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name4-aminobutanoic acid;azane
SMILESN.NCCCC(=O)O
InChIInChI=1S/C4H9NO2.H3N/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H3
InChIKeyWQFOKDDLMNYWDD-UHFFFAOYSA-N
XLogP-0.03
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;azane?
The IUPAC name of 4-aminobutanoic acid;azane (CID 87254464) is 4-aminobutanoic acid;azane.
What is the SMILES notation for 4-aminobutanoic acid;azane?
The canonical SMILES for 4-aminobutanoic acid;azane is N.NCCCC(=O)O.
What is the InChIKey of 4-aminobutanoic acid;azane?
The InChIKey is WQFOKDDLMNYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.H3N/c5-3-1-2-4(6)7;/h1-3,5H2,(H,6,7);1H3.
What are the key properties of 4-aminobutanoic acid;azane?
4-aminobutanoic acid;azane has a molecular weight of 120.15 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;azane is sourced from PubChem (CID 87254464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).