4-azaniumylbutanoate

C4H9NO2 — CID 6992099

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IUPAC4-azaniumylbutanoate
SMILES[NH3+]CCCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
MW103.12 g/mol
LogP-2.24
Rot. Bonds3

About 4-azaniumylbutanoate

4-azaniumylbutanoate (PubChem CID 6992099) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 4-azaniumylbutanoate.

Molecular Properties

Compound Name4-azaniumylbutanoate
PubChem CID6992099
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name4-azaniumylbutanoate
SMILES[NH3+]CCCC(=O)[O-]
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
XLogP-2.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
Methyl 4-aminobutanoate
CID 18614
gamma-Aminobutyrate
CID 5460232
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Methylaminobutanoate
CID 1550042
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
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
4-Methylaminobutyrate
CID 9543115

Frequently Asked Questions

What is the IUPAC name of 4-azaniumylbutanoate?
The IUPAC name of 4-azaniumylbutanoate (CID 6992099) is 4-azaniumylbutanoate.
What is the SMILES notation for 4-azaniumylbutanoate?
The canonical SMILES for 4-azaniumylbutanoate is [NH3+]CCCC(=O)[O-].
What is the InChIKey of 4-azaniumylbutanoate?
The InChIKey is BTCSSZJGUNDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7).
What are the key properties of 4-azaniumylbutanoate?
4-azaniumylbutanoate has a molecular weight of 103.12 g/mol, XLogP of -2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaniumylbutanoate is sourced from PubChem (CID 6992099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).