methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate

C14H27NO3 — CID 102984449

IUPACmethyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(NCC)(C(=O)OC)C1CC1
InChIInChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(15-6-2,12-8-9-12)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyUILYZIVHAJWKGU-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds9

About methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate

methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate (PubChem CID 102984449) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
PubChem CID102984449
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
SMILESCCCC(C)OCC(NCC)(C(=O)OC)C1CC1
InChIInChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(15-6-2,12-8-9-12)13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyUILYZIVHAJWKGU-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate?
The IUPAC name of methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate (CID 102984449) is methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate is CCCC(C)OCC(NCC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate?
The InChIKey is UILYZIVHAJWKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-11(3)18-10-14(15-6-2,12-8-9-12)13(16)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate?
methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate is sourced from PubChem (CID 102984449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).