4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid

C10H17NO5 — CID 118310183

IUPAC4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid
SMILESCOCC1(C(=O)OC)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-15-7-10(8(12)16-2)3-5-11(6-4-10)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyIFXWDHSZJVFSGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.57
Rot. Bonds3

About 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid

4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid (PubChem CID 118310183) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid
PubChem CID118310183
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid
SMILESCOCC1(C(=O)OC)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO5/c1-15-7-10(8(12)16-2)3-5-11(6-4-10)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChIKeyIFXWDHSZJVFSGW-UHFFFAOYSA-N
XLogP0.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid (CID 118310183) is 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid is COCC1(C(=O)OC)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid?
The InChIKey is IFXWDHSZJVFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-7-10(8(12)16-2)3-5-11(6-4-10)9(13)14/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid?
4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-4-(methoxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 118310183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).