4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid

C15H26N2O4 — CID 114431846

IUPAC4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(=O)NCC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-5-6-17(13(8-11)15(19)20)10-14(18)16-9-12-4-3-7-21-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyHMWDKCQLAWFACS-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds6

About 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid

4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid (PubChem CID 114431846) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid
PubChem CID114431846
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(=O)NCC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-2-11-5-6-17(13(8-11)15(19)20)10-14(18)16-9-12-4-3-7-21-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyHMWDKCQLAWFACS-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 103352927
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
2-[(2S)-2-methylpiperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51980847
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62016098
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 114430623
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
methyl 2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 62026394
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid (CID 114431846) is 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid is CCC1CCN(CC(=O)NCC2CCCO2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid?
The InChIKey is HMWDKCQLAWFACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-11-5-6-17(13(8-11)15(19)20)10-14(18)16-9-12-4-3-7-21-12/h11-13H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114431846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).