1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid

C14H24N2O4 — CID 66262762

IUPAC1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2(C)COCC2N)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(8-14)11(17)13(2)9-20-7-10(13)15/h10H,3-9,15H2,1-2H3,(H,18,19)
InChIKeyBWGAMWAXQUSDHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.45
Rot. Bonds3

About 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid

1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 66262762) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID66262762
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2(C)COCC2N)C1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(8-14)11(17)13(2)9-20-7-10(13)15/h10H,3-9,15H2,1-2H3,(H,18,19)
InChIKeyBWGAMWAXQUSDHZ-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 66262627
(4-amino-3-methyloxolan-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 66263043
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(4-amino-3-methyloxolan-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 66264309
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-3-methyloxolan-3-yl)methanone
CID 115559743
(4-amino-3-methyloxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66250245
3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136471
(4-amino-3-methyloxolan-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 66248492
(4-amino-3-methyloxolan-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 66248100
(4-amino-3-methyloxolan-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958611
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid (CID 66262762) is 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)C2(C)COCC2N)C1.
What is the InChIKey of 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is BWGAMWAXQUSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(12(18)19)5-4-6-16(8-14)11(17)13(2)9-20-7-10(13)15/h10H,3-9,15H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 66262762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).