ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate

C14H27NO3 — CID 115758761

IUPACethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC1CC(C)O
InChIInChI=1S/C14H27NO3/c1-4-7-13(14(17)18-5-2)15-9-6-8-12(15)10-11(3)16/h11-13,16H,4-10H2,1-3H3
InChIKeyMCHBGFYRDPXDBO-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.95
Rot. Bonds7

About ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate

ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate (PubChem CID 115758761) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
PubChem CID115758761
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC1CC(C)O
InChIInChI=1S/C14H27NO3/c1-4-7-13(14(17)18-5-2)15-9-6-8-12(15)10-11(3)16/h11-13,16H,4-10H2,1-3H3
InChIKeyMCHBGFYRDPXDBO-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate?
The IUPAC name of ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate (CID 115758761) is ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate is CCCC(C(=O)OCC)N1CCCC1CC(C)O.
What is the InChIKey of ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate?
The InChIKey is MCHBGFYRDPXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-7-13(14(17)18-5-2)15-9-6-8-12(15)10-11(3)16/h11-13,16H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate?
ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate has a molecular weight of 257.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 115758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).