propyl 4-aminobutanoate

C7H15NO2 — CID 14697326

IUPACpropyl 4-aminobutanoate
SMILESCCCOC(=O)CCCN
InChIInChI=1S/C7H15NO2/c1-2-6-10-7(9)4-3-5-8/h2-6,8H2,1H3
InChIKeyQJQSIGWDKLNMNS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds5

About propyl 4-aminobutanoate

propyl 4-aminobutanoate (PubChem CID 14697326) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is propyl 4-aminobutanoate.

Molecular Properties

Compound Namepropyl 4-aminobutanoate
PubChem CID14697326
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepropyl 4-aminobutanoate
SMILESCCCOC(=O)CCCN
InChIInChI=1S/C7H15NO2/c1-2-6-10-7(9)4-3-5-8/h2-6,8H2,1H3
InChIKeyQJQSIGWDKLNMNS-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ammoniobutanoate
CID 6992099
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
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
Butyl 4-aminobutanoate
CID 14697327
Methyl 4-(methylamino)butanoate
CID 14769104
Methyl 4-amino-2-methylbutanoate hydrochloride
CID 14435432

Frequently Asked Questions

What is the IUPAC name of propyl 4-aminobutanoate?
The IUPAC name of propyl 4-aminobutanoate (CID 14697326) is propyl 4-aminobutanoate.
What is the SMILES notation for propyl 4-aminobutanoate?
The canonical SMILES for propyl 4-aminobutanoate is CCCOC(=O)CCCN.
What is the InChIKey of propyl 4-aminobutanoate?
The InChIKey is QJQSIGWDKLNMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-6-10-7(9)4-3-5-8/h2-6,8H2,1H3.
What are the key properties of propyl 4-aminobutanoate?
propyl 4-aminobutanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-aminobutanoate is sourced from PubChem (CID 14697326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).