1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid

C13H21NO4 — CID 114113205

IUPAC1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid
SMILESCOCCC1(CN2CC(C(=O)O)CCC2=O)CC1
InChIInChI=1S/C13H21NO4/c1-18-7-6-13(4-5-13)9-14-8-10(12(16)17)2-3-11(14)15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyMLTNCTAURTYZFK-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.13
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid

1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 114113205) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID114113205
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid
SMILESCOCCC1(CN2CC(C(=O)O)CCC2=O)CC1
InChIInChI=1S/C13H21NO4/c1-18-7-6-13(4-5-13)9-14-8-10(12(16)17)2-3-11(14)15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyMLTNCTAURTYZFK-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid (CID 114113205) is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid is COCCC1(CN2CC(C(=O)O)CCC2=O)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is MLTNCTAURTYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-7-6-13(4-5-13)9-14-8-10(12(16)17)2-3-11(14)15/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid?
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 114113205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).