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

C14H25NO4 — CID 142151920

IUPACmethyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCC2C[C@H](OC)CN2)CC1
InChIInChI=1S/C14H25NO4/c1-17-13-7-11(15-8-13)9-19-12-5-3-10(4-6-12)14(16)18-2/h10-13,15H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyIVTHVSHTHWERHU-SKQCGHHBSA-N
MW271.36 g/mol
LogP1.11
Rot. Bonds5

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

methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate (PubChem CID 142151920) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
PubChem CID142151920
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCC2C[C@H](OC)CN2)CC1
InChIInChI=1S/C14H25NO4/c1-17-13-7-11(15-8-13)9-19-12-5-3-10(4-6-12)14(16)18-2/h10-13,15H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyIVTHVSHTHWERHU-SKQCGHHBSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate (CID 142151920) is methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(OCC2C[C@H](OC)CN2)CC1.
What is the InChIKey of methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
The InChIKey is IVTHVSHTHWERHU-SKQCGHHBSA-N. The full InChI is InChI=1S/C14H25NO4/c1-17-13-7-11(15-8-13)9-19-12-5-3-10(4-6-12)14(16)18-2/h10-13,15H,3-9H2,1-2H3/t10?,11?,12?,13-/m0/s1.
What are the key properties of methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate?
methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 142151920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).