2-aminopropyl butanoate

C7H15NO2 — CID 87536199

IUPAC2-aminopropyl butanoate
SMILESCCCC(=O)OCC(C)N
InChIInChI=1S/C7H15NO2/c1-3-4-7(9)10-5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyFOISVRHNIDTMGW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds4

About 2-aminopropyl butanoate

2-aminopropyl butanoate (PubChem CID 87536199) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-aminopropyl butanoate.

Molecular Properties

Compound Name2-aminopropyl butanoate
PubChem CID87536199
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-aminopropyl butanoate
SMILESCCCC(=O)OCC(C)N
InChIInChI=1S/C7H15NO2/c1-3-4-7(9)10-5-6(2)8/h6H,3-5,8H2,1-2H3
InChIKeyFOISVRHNIDTMGW-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

ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
2,3-dihydroxypropyl butanoate
CID 175822551
2,7-dimethyloctyl butanoate
CID 3024201
propan-2-yloxymethyl butanoate
CID 87360583
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
[(2S)-2-butanoyloxybutyl] butanoate
CID 129404084
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
[2-ethyl-4-(2-methylpropanoyloxymethyl)hexyl] butanoate
CID 139749107
2-aminopropanoyl butaneperoxoate
CID 139674413
[2-butanoyloxy-3-[2,3-di(butanoyloxy)propoxy]propyl] butanoate
CID 551549

Frequently Asked Questions

What is the IUPAC name of 2-aminopropyl butanoate?
The IUPAC name of 2-aminopropyl butanoate (CID 87536199) is 2-aminopropyl butanoate.
What is the SMILES notation for 2-aminopropyl butanoate?
The canonical SMILES for 2-aminopropyl butanoate is CCCC(=O)OCC(C)N.
What is the InChIKey of 2-aminopropyl butanoate?
The InChIKey is FOISVRHNIDTMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-7(9)10-5-6(2)8/h6H,3-5,8H2,1-2H3.
What are the key properties of 2-aminopropyl butanoate?
2-aminopropyl butanoate 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 2-aminopropyl butanoate is sourced from PubChem (CID 87536199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).