methyl 4-aminobutanoate

C5H11NO2 — CID 18614

IUPACmethyl 4-aminobutanoate
SMILESCOC(=O)CCCN
InChIInChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKeyKVQGGLZHHFGHPU-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds3

About methyl 4-aminobutanoate

methyl 4-aminobutanoate (PubChem CID 18614) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl 4-aminobutanoate.

Molecular Properties

Compound Namemethyl 4-aminobutanoate
PubChem CID18614
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl 4-aminobutanoate
SMILESCOC(=O)CCCN
InChIInChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKeyKVQGGLZHHFGHPU-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ammoniobutanoate
CID 6992099
gamma-Aminobutyrate
CID 5460232
gamma-Aminobutyric acid ethyl ester
CID 23365
4-Methoxy-4-oxobutan-1-aminium chloride
CID 25623
4-Aminobutyrate ethyl hydrochloride
CID 12649661
Ethyl gamma-aminobutyrate hydrochloride
CID 23364
4-Aminobutyric acid methyl ester hydrochloride
CID 2756383
Propan-2-yl 4-aminobutanoate hydrochloride
CID 12381211
Methyl 4-(methylamino)butanoate hydrochloride
CID 21932544
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-(methylamino)butanoate
CID 14769104
Methyl 4-aminopentanoate hydrochloride
CID 13276185

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminobutanoate?
The IUPAC name of methyl 4-aminobutanoate (CID 18614) is methyl 4-aminobutanoate.
What is the SMILES notation for methyl 4-aminobutanoate?
The canonical SMILES for methyl 4-aminobutanoate is COC(=O)CCCN.
What is the InChIKey of methyl 4-aminobutanoate?
The InChIKey is KVQGGLZHHFGHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3.
What are the key properties of methyl 4-aminobutanoate?
methyl 4-aminobutanoate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminobutanoate is sourced from PubChem (CID 18614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).