ethyl 2-(2-cyclopropylethylamino)pentanoate

C12H23NO2 — CID 79040275

IUPACethyl 2-(2-cyclopropylethylamino)pentanoate
SMILESCCCC(NCCC1CC1)C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-3-5-11(12(14)15-4-2)13-9-8-10-6-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyQSVGHGYZLVNFJX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds8

About ethyl 2-(2-cyclopropylethylamino)pentanoate

ethyl 2-(2-cyclopropylethylamino)pentanoate (PubChem CID 79040275) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropylethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropylethylamino)pentanoate
PubChem CID79040275
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(2-cyclopropylethylamino)pentanoate
SMILESCCCC(NCCC1CC1)C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-3-5-11(12(14)15-4-2)13-9-8-10-6-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyQSVGHGYZLVNFJX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropylethylamino)pentanoate?
The IUPAC name of ethyl 2-(2-cyclopropylethylamino)pentanoate (CID 79040275) is ethyl 2-(2-cyclopropylethylamino)pentanoate.
What is the SMILES notation for ethyl 2-(2-cyclopropylethylamino)pentanoate?
The canonical SMILES for ethyl 2-(2-cyclopropylethylamino)pentanoate is CCCC(NCCC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-cyclopropylethylamino)pentanoate?
The InChIKey is QSVGHGYZLVNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-11(12(14)15-4-2)13-9-8-10-6-7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(2-cyclopropylethylamino)pentanoate?
ethyl 2-(2-cyclopropylethylamino)pentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropylethylamino)pentanoate is sourced from PubChem (CID 79040275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).