(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate

C13H23NO3 — CID 61278026

IUPAC(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OC2CCC(C)CC2)C1
InChIInChI=1S/C13H23NO3/c1-9-3-5-10(6-4-9)17-13(15)12-7-11(16-2)8-14-12/h9-12,14H,3-8H2,1-2H3
InChIKeyPPRUHDAQXJSXQT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.49
Rot. Bonds3

About (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate

(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate (PubChem CID 61278026) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
PubChem CID61278026
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
SMILESCOC1CNC(C(=O)OC2CCC(C)CC2)C1
InChIInChI=1S/C13H23NO3/c1-9-3-5-10(6-4-9)17-13(15)12-7-11(16-2)8-14-12/h9-12,14H,3-8H2,1-2H3
InChIKeyPPRUHDAQXJSXQT-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
CID 61151115
(2-ethylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61276842
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
2-ethoxyethyl 4-methoxypyrrolidine-2-carboxylate
CID 61278622
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 116560655
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
(2R,4R)-4-methoxypyrrolidine-2-carbothioamide
CID 87536382

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate (CID 61278026) is (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate is COC1CNC(C(=O)OC2CCC(C)CC2)C1.
What is the InChIKey of (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
The InChIKey is PPRUHDAQXJSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9-3-5-10(6-4-9)17-13(15)12-7-11(16-2)8-14-12/h9-12,14H,3-8H2,1-2H3.
What are the key properties of (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate?
(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 61278026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).