ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate

C12H21NO3 — CID 156806223

IUPACethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1N1CCOCC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(14)10-4-3-5-11(10)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3
InChIKeyOBXVAOHAFSKDJS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds3

About ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate

ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate (PubChem CID 156806223) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
PubChem CID156806223
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-morpholin-4-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1N1CCOCC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(14)10-4-3-5-11(10)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3
InChIKeyOBXVAOHAFSKDJS-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
cis-ethyl (1R,2S)-2-[4-[(1R,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 124856389
ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
CID 4913249
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
trans-ethyl (1S,2S)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]cyclopentane-1-carboxylate
CID 97254926
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
cis-ethyl (1S,3R)-3-(morpholin-4-ylmethyl)cyclohexane-1-carboxylate
CID 99785632
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]acetamide
CID 110128085
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate (CID 156806223) is ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate is CCOC(=O)C1CCCC1N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate?
The InChIKey is OBXVAOHAFSKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-12(14)10-4-3-5-11(10)13-6-8-15-9-7-13/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate?
ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 156806223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).