2-aminoethyl 3-cyclopropylpropanoate

C8H15NO2 — CID 174465831

IUPAC2-aminoethyl 3-cyclopropylpropanoate
SMILESNCCOC(=O)CCC1CC1
InChIInChI=1S/C8H15NO2/c9-5-6-11-8(10)4-3-7-1-2-7/h7H,1-6,9H2
InChIKeyVYQMQJVVLROZSG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds5

About 2-aminoethyl 3-cyclopropylpropanoate

2-aminoethyl 3-cyclopropylpropanoate (PubChem CID 174465831) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-aminoethyl 3-cyclopropylpropanoate.

Molecular Properties

Compound Name2-aminoethyl 3-cyclopropylpropanoate
PubChem CID174465831
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-aminoethyl 3-cyclopropylpropanoate
SMILESNCCOC(=O)CCC1CC1
InChIInChI=1S/C8H15NO2/c9-5-6-11-8(10)4-3-7-1-2-7/h7H,1-6,9H2
InChIKeyVYQMQJVVLROZSG-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
bis(2-aminoethyl) butanedioate
CID 12073124
propyl 3-cyclopentylpropanoate
CID 43389546
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
[bromo(3-cyclopropylpropanoyloxy)indiganyl] 3-cyclopropylpropanoate
CID 144651003
2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
CID 114157607
cyclopropyl 3-cyclopropylpropanoate
CID 175261469
9-cyclopropylnonyl butanoate
CID 21445863
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
2-piperidin-4-ylethyl butanoate
CID 174737441
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
2-cyclopropylethyl 4-(methylamino)butanoate
CID 106202653

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 3-cyclopropylpropanoate?
The IUPAC name of 2-aminoethyl 3-cyclopropylpropanoate (CID 174465831) is 2-aminoethyl 3-cyclopropylpropanoate.
What is the SMILES notation for 2-aminoethyl 3-cyclopropylpropanoate?
The canonical SMILES for 2-aminoethyl 3-cyclopropylpropanoate is NCCOC(=O)CCC1CC1.
What is the InChIKey of 2-aminoethyl 3-cyclopropylpropanoate?
The InChIKey is VYQMQJVVLROZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-5-6-11-8(10)4-3-7-1-2-7/h7H,1-6,9H2.
What are the key properties of 2-aminoethyl 3-cyclopropylpropanoate?
2-aminoethyl 3-cyclopropylpropanoate has a molecular weight of 157.21 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 2-aminoethyl 3-cyclopropylpropanoate is sourced from PubChem (CID 174465831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).