methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate

C14H23NO4 — CID 112632907

IUPACmethyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23NO4/c1-18-13(17)12-7-11(16)9-15(12)10-3-6-19-14(8-10)4-2-5-14/h10-12,16H,2-9H2,1H3
InChIKeyMODCYGKQXXVHPL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.70
Rot. Bonds2

About methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate (PubChem CID 112632907) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
PubChem CID112632907
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C1CCOC2(CCC2)C1
InChIInChI=1S/C14H23NO4/c1-18-13(17)12-7-11(16)9-15(12)10-3-6-19-14(8-10)4-2-5-14/h10-12,16H,2-9H2,1H3
InChIKeyMODCYGKQXXVHPL-UHFFFAOYSA-N
XLogP0.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
methyl 2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]acetate
CID 79919281
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
methyl 4-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 154796496
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
[3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 102787849
methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632727
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate (CID 112632907) is methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C1CCOC2(CCC2)C1.
What is the InChIKey of methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate?
The InChIKey is MODCYGKQXXVHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-18-13(17)12-7-11(16)9-15(12)10-3-6-19-14(8-10)4-2-5-14/h10-12,16H,2-9H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).