methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate

C15H27NO4 — CID 58778865

IUPACmethyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC[C@@H]2C[C@H](OC)CN2C)CC1
InChIInChI=1S/C15H27NO4/c1-16-9-14(18-2)8-12(16)10-20-13-6-4-11(5-7-13)15(17)19-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?,14-/m0/s1
InChIKeyLITDHOVDKHEGTL-YIOUJQMASA-N
MW285.38 g/mol
LogP1.45
Rot. Bonds5

About methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate

methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate (PubChem CID 58778865) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
PubChem CID58778865
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC[C@@H]2C[C@H](OC)CN2C)CC1
InChIInChI=1S/C15H27NO4/c1-16-9-14(18-2)8-12(16)10-20-13-6-4-11(5-7-13)15(17)19-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?,14-/m0/s1
InChIKeyLITDHOVDKHEGTL-YIOUJQMASA-N
XLogP1.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 142151920
tert-butyl (2S,4S)-4-amino-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 58778520
tert-butyl (2S,5R)-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778846
O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 164903841
methyl 4-[[(2R,3S)-3-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778556
tert-butyl (2S,4R)-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 89385811
4-[(1-formyl-5-methoxypiperidin-2-yl)methoxy]cyclohexane-1-carboxylic acid
CID 142964787
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
CID 145123697
methyl 4-(2-aminoethoxy)cyclohexane-1-carboxylate
CID 114450564
methyl 4-[[(3S)-3-fluoropyrrolidin-1-yl]methoxy]cyclohexane-1-carboxylate
CID 91213751
methyl 4-[[(2S,4S)-4-methylsulfanylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778751

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate (CID 58778865) is methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(OC[C@@H]2C[C@H](OC)CN2C)CC1.
What is the InChIKey of methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The InChIKey is LITDHOVDKHEGTL-YIOUJQMASA-N. The full InChI is InChI=1S/C15H27NO4/c1-16-9-14(18-2)8-12(16)10-20-13-6-4-11(5-7-13)15(17)19-3/h11-14H,4-10H2,1-3H3/t11?,12-,13?,14-/m0/s1.
What are the key properties of methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 58778865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).