propyl 3-aminobutanoate

C7H15NO2 — CID 43247954

IUPACpropyl 3-aminobutanoate
SMILESCCCOC(=O)CC(C)N
InChIInChI=1S/C7H15NO2/c1-3-4-10-7(9)5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyIOGMRDQSMCQPRV-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds4

About propyl 3-aminobutanoate

propyl 3-aminobutanoate (PubChem CID 43247954) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is propyl 3-aminobutanoate.

Molecular Properties

Compound Namepropyl 3-aminobutanoate
PubChem CID43247954
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namepropyl 3-aminobutanoate
SMILESCCCOC(=O)CC(C)N
InChIInChI=1S/C7H15NO2/c1-3-4-10-7(9)5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyIOGMRDQSMCQPRV-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

propyl 3-propoxybutanoate
CID 175273522
1-O,1-O-dimethyl 3-O-propyl 2-methylpropane-1,1,3-tricarboxylate
CID 118001057
1-O-propan-2-yl 4-O-propyl 2-methylbutanedioate
CID 173239867
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
propyl 3-hydroxyhexanoate
CID 14915819
propyl 3-propylsulfanylbutanoate
CID 88902575
2-methylpropanoyl 3-aminobutanoate
CID 174497316
methane;propyl butanoate
CID 157187060
propyl 2-fluoroacetate
CID 24957
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
octan-2-yl 3-aminobutanoate
CID 61302109

Frequently Asked Questions

What is the IUPAC name of propyl 3-aminobutanoate?
The IUPAC name of propyl 3-aminobutanoate (CID 43247954) is propyl 3-aminobutanoate.
What is the SMILES notation for propyl 3-aminobutanoate?
The canonical SMILES for propyl 3-aminobutanoate is CCCOC(=O)CC(C)N.
What is the InChIKey of propyl 3-aminobutanoate?
The InChIKey is IOGMRDQSMCQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-10-7(9)5-6(2)8/h6H,3-5,8H2,1-2H3.
What are the key properties of propyl 3-aminobutanoate?
propyl 3-aminobutanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-aminobutanoate is sourced from PubChem (CID 43247954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).