8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid

C19H35NO5 — CID 156738198

IUPAC8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid
SMILESCOCC1CC(OC)CN1C(=O)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C19H35NO5/c1-18(2,8-7-17(22)23)13-19(3,4)10-16(21)20-11-15(25-6)9-14(20)12-24-5/h14-15H,7-13H2,1-6H3,(H,22,23)
InChIKeyCTSWVYFTNSOYNS-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.95
Rot. Bonds10

About 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid

8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid (PubChem CID 156738198) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid
PubChem CID156738198
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid
SMILESCOCC1CC(OC)CN1C(=O)CC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C19H35NO5/c1-18(2,8-7-17(22)23)13-19(3,4)10-16(21)20-11-15(25-6)9-14(20)12-24-5/h14-15H,7-13H2,1-6H3,(H,22,23)
InChIKeyCTSWVYFTNSOYNS-UHFFFAOYSA-N
XLogP2.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid?
The IUPAC name of 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid (CID 156738198) is 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid.
What is the SMILES notation for 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid?
The canonical SMILES for 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid is COCC1CC(OC)CN1C(=O)CC(C)(C)CC(C)(C)CCC(=O)O.
What is the InChIKey of 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid?
The InChIKey is CTSWVYFTNSOYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-18(2,8-7-17(22)23)13-19(3,4)10-16(21)20-11-15(25-6)9-14(20)12-24-5/h14-15H,7-13H2,1-6H3,(H,22,23).
What are the key properties of 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid?
8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid has a molecular weight of 357.49 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4,4,6,6-tetramethyl-8-oxooctanoic acid is sourced from PubChem (CID 156738198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).