4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid

C11H19NO6 — CID 118326496

IUPAC4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1OCOC
InChIInChI=1S/C11H19NO6/c1-3-17-10(13)8-4-5-12(11(14)15)6-9(8)18-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWIZFILKCIISAIA-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.54
Rot. Bonds5

About 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid

4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid (PubChem CID 118326496) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
PubChem CID118326496
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1OCOC
InChIInChI=1S/C11H19NO6/c1-3-17-10(13)8-4-5-12(11(14)15)6-9(8)18-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWIZFILKCIISAIA-UHFFFAOYSA-N
XLogP0.54
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 142793720
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
CID 118326464
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
CID 57224472
4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
CID 129278711
ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate
CID 15306207
ethyl 4-acetyloxy-1-propanoylpiperidine-3-carboxylate
CID 57172970
ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
CID 58035265
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid (CID 118326496) is 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)O)CC1OCOC.
What is the InChIKey of 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid?
The InChIKey is WIZFILKCIISAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-3-17-10(13)8-4-5-12(11(14)15)6-9(8)18-7-16-2/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid?
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 118326496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).