4-aminobutanoate

C4H8NO2- — CID 5460232

IUPAC4-aminobutanoate
SMILESNCCCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-M
MW102.11 g/mol
LogP-1.52
Rot. Bonds3

About 4-aminobutanoate

4-aminobutanoate (PubChem CID 5460232) has the molecular formula C4H8NO2- and a molecular weight of 102.11 g/mol. Its IUPAC name is 4-aminobutanoate.

Molecular Properties

Compound Name4-aminobutanoate
PubChem CID5460232
Molecular FormulaC4H8NO2-
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name4-aminobutanoate
SMILESNCCCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-M
XLogP-1.52
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Ammoniobutanoate
CID 6992099
Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Methylaminobutanoate
CID 1550042
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
4-Methylaminobutyrate
CID 9543115
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoate?
The IUPAC name of 4-aminobutanoate (CID 5460232) is 4-aminobutanoate.
What is the SMILES notation for 4-aminobutanoate?
The canonical SMILES for 4-aminobutanoate is NCCCC(=O)[O-].
What is the InChIKey of 4-aminobutanoate?
The InChIKey is BTCSSZJGUNDROE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1.
What are the key properties of 4-aminobutanoate?
4-aminobutanoate has a molecular weight of 102.11 g/mol, XLogP of -1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoate is sourced from PubChem (CID 5460232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).