2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid

C9H16N2O4 — CID 56995955

IUPAC2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid
SMILESCNC(=O)COC1CCCCN1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10-7(12)6-15-8-4-2-3-5-11(8)9(13)14/h8H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyJESINWBFIBYVEC-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.24
Rot. Bonds3

About 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid

2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid (PubChem CID 56995955) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid
PubChem CID56995955
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid
SMILESCNC(=O)COC1CCCCN1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10-7(12)6-15-8-4-2-3-5-11(8)9(13)14/h8H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyJESINWBFIBYVEC-UHFFFAOYSA-N
XLogP0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
CID 91418373
ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244
2-[(4-cyanophenyl)methoxy]piperidine-1-carboxylic acid
CID 68790675
2-(2-methoxyethoxy)azetidine-1-carboxylic acid
CID 152621597
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid?
The IUPAC name of 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid (CID 56995955) is 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid is CNC(=O)COC1CCCCN1C(=O)O.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid?
The InChIKey is JESINWBFIBYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10-7(12)6-15-8-4-2-3-5-11(8)9(13)14/h8H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid?
2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 56995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).