[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate

C15H25NO4 — CID 130205012

IUPAC[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate
SMILESC[C@@H]1OC(=O)[C@@H](N)CCCC[C@H]1OC(=O)C1CCCC1
InChIInChI=1S/C15H25NO4/c1-10-13(20-14(17)11-6-2-3-7-11)9-5-4-8-12(16)15(18)19-10/h10-13H,2-9,16H2,1H3/t10-,12-,13+/m0/s1
InChIKeyXRQCDCTVZLQPDR-WCFLWFBJSA-N
MW283.37 g/mol
LogP1.92
Rot. Bonds2

About [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate

[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate (PubChem CID 130205012) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate
PubChem CID130205012
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate
SMILESC[C@@H]1OC(=O)[C@@H](N)CCCC[C@H]1OC(=O)C1CCCC1
InChIInChI=1S/C15H25NO4/c1-10-13(20-14(17)11-6-2-3-7-11)9-5-4-8-12(16)15(18)19-10/h10-13H,2-9,16H2,1H3/t10-,12-,13+/m0/s1
InChIKeyXRQCDCTVZLQPDR-WCFLWFBJSA-N
XLogP1.92
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,8R,9S)-3-amino-9-methyl-8-phenoxyoxonan-2-one
CID 130205019
[8-amino-4-[(4-fluorophenyl)methyl]-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate
CID 123704153
(3S,7S,8S,9S)-3-amino-7,8-dicyclopentyloxy-9-methyloxonan-2-one
CID 123553602
(3S,8R,9S)-3-amino-9-methyl-8-phenylmethoxyoxonan-2-one
CID 130205013
[(3S,7S,8S,9S)-8-(cyclopentanecarbonyloxy)-9-methyl-2-oxo-7-phenoxyoxonan-3-yl]azanium
CID 140646068
[(2S,3S,4S,8S)-8-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-(2-methylpropoxy)-9-oxooxonan-4-yl] cyclopentanecarboxylate
CID 86725046
(2-methylcyclohexyl) piperidine-4-carboxylate
CID 61277227
(3S,7S,8S,9S)-3-amino-9-methyl-7-(2-methylpropoxy)-8-phenoxyoxonan-2-one
CID 90265293
methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate
CID 45082294
3-amino-7-ethenyl-9-methyl-8-phenoxyoxonan-2-one
CID 123321698
[(2S,3S,4S,8S)-3-cyclopentyloxy-8-[[4-methoxy-3-(2-methylpropanoyloxymethoxy)pyridine-2-carbonyl]amino]-2-methyl-9-oxooxonan-4-yl] cyclopentanecarboxylate
CID 90270748
(3S,7S,8S,9S)-3-amino-8-[(4-fluorophenyl)methyl]-9-methyl-7-(4-methylphenoxy)oxonan-2-one
CID 118199400

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate?
The IUPAC name of [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate (CID 130205012) is [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate.
What is the SMILES notation for [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate?
The canonical SMILES for [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate is C[C@@H]1OC(=O)[C@@H](N)CCCC[C@H]1OC(=O)C1CCCC1.
What is the InChIKey of [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate?
The InChIKey is XRQCDCTVZLQPDR-WCFLWFBJSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10-13(20-14(17)11-6-2-3-7-11)9-5-4-8-12(16)15(18)19-10/h10-13H,2-9,16H2,1H3/t10-,12-,13+/m0/s1.
What are the key properties of [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate?
[(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,8S)-8-amino-2-methyl-9-oxooxonan-3-yl] cyclopentanecarboxylate is sourced from PubChem (CID 130205012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).