ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate

C15H27NO3 — CID 114339457

IUPACethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-14,17H,3-10H2,1-2H3
InChIKeyPPCAPBSFEDOCBS-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.95
Rot. Bonds4

About ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate

ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate (PubChem CID 114339457) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
PubChem CID114339457
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCCC1C1CCCCC1O
InChIInChI=1S/C15H27NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-14,17H,3-10H2,1-2H3
InChIKeyPPCAPBSFEDOCBS-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 82749943
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
CID 79546859
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 114339675
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
2-methylpropyl 2-(2-hydroxycyclohexyl)pyrrolidine-1-carboxylate
CID 79549343
ethyl (2S)-2-[(3aR,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]propanoate
CID 82017413
3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733
2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol
CID 114339904
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate (CID 114339457) is ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate is CCOC(=O)C(C)N1CCCC1C1CCCCC1O.
What is the InChIKey of ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate?
The InChIKey is PPCAPBSFEDOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-19-15(18)11(2)16-10-6-8-13(16)12-7-4-5-9-14(12)17/h11-14,17H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate?
ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate has a molecular weight of 269.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 114339457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).