4-aminobutanoic acid;pentahydrate

C4H19NO7 — CID 71376920

IUPAC4-aminobutanoic acid;pentahydrate
SMILESNCCCC(=O)O.O.O.O.O.O
InChIInChI=1S/C4H9NO2.5H2O/c5-3-1-2-4(6)7;;;;;/h1-3,5H2,(H,6,7);5*1H2
InChIKeyQJWDWNOFFYYNDC-UHFFFAOYSA-N
MW193.20 g/mol
LogP-4.31
Rot. Bonds3

About 4-aminobutanoic acid;pentahydrate

4-aminobutanoic acid;pentahydrate (PubChem CID 71376920) has the molecular formula C4H19NO7 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-aminobutanoic acid;pentahydrate.

Molecular Properties

Compound Name4-aminobutanoic acid;pentahydrate
PubChem CID71376920
Molecular FormulaC4H19NO7
Molecular Weight193.20 g/mol
Exact Mass193.12
IUPAC Name4-aminobutanoic acid;pentahydrate
SMILESNCCCC(=O)O.O.O.O.O.O
InChIInChI=1S/C4H9NO2.5H2O/c5-3-1-2-4(6)7;;;;;/h1-3,5H2,(H,6,7);5*1H2
InChIKeyQJWDWNOFFYYNDC-UHFFFAOYSA-N
XLogP-4.31
TPSA220.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-4.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-aminobutanoic acid;pentahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;pentahydrate?
The IUPAC name of 4-aminobutanoic acid;pentahydrate (CID 71376920) is 4-aminobutanoic acid;pentahydrate.
What is the SMILES notation for 4-aminobutanoic acid;pentahydrate?
The canonical SMILES for 4-aminobutanoic acid;pentahydrate is NCCCC(=O)O.O.O.O.O.O.
What is the InChIKey of 4-aminobutanoic acid;pentahydrate?
The InChIKey is QJWDWNOFFYYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.5H2O/c5-3-1-2-4(6)7;;;;;/h1-3,5H2,(H,6,7);5*1H2.
What are the key properties of 4-aminobutanoic acid;pentahydrate?
4-aminobutanoic acid;pentahydrate has a molecular weight of 193.20 g/mol, XLogP of -4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;pentahydrate is sourced from PubChem (CID 71376920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).