(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one

C10H15NO3 — CID 15297915

IUPAC(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
SMILESCO[C@H]1CCC[C@@H]([C@@H]2CC(=O)N2)C1=O
InChIInChI=1S/C10H15NO3/c1-14-8-4-2-3-6(10(8)13)7-5-9(12)11-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8-/m0/s1
InChIKeyRCNAETFNLVLZQJ-FXQIFTODSA-N
MW197.23 g/mol
LogP0.26
Rot. Bonds2

About (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one

(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one (PubChem CID 15297915) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
PubChem CID15297915
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
SMILESCO[C@H]1CCC[C@@H]([C@@H]2CC(=O)N2)C1=O
InChIInChI=1S/C10H15NO3/c1-14-8-4-2-3-6(10(8)13)7-5-9(12)11-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8-/m0/s1
InChIKeyRCNAETFNLVLZQJ-FXQIFTODSA-N
XLogP0.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(1R)-2-oxocyclopentyl]azetidin-2-one
CID 93233730
(4R)-4-[(1S)-2-oxocyclopentyl]azetidin-2-one
CID 93233733
(7S)-4-methoxy-7-methylazepane-2,5,6-trione
CID 57123881
(4S)-4-[(1S)-2-oxocyclooctyl]azetidin-2-one
CID 10932352
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
methyl 2-hydroxy-2-[(2S)-2-[(1R,3R)-3-methoxy-2-oxocyclohexyl]-4-oxoazetidin-1-yl]acetate
CID 10613120
3-methoxyazonane-2,9-dione
CID 54423619
tricyclo[5.3.1.12,6]dodecane-11,12-dione
CID 605937
(4aS,6S,9aR)-6-methoxy-1,2,3,4,4a,6,7,9a-octahydrobenzo[7]annulen-5-one
CID 11521242
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R,3R)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
CID 100993255
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one?
The IUPAC name of (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one (CID 15297915) is (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one.
What is the SMILES notation for (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one?
The canonical SMILES for (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one is CO[C@H]1CCC[C@@H]([C@@H]2CC(=O)N2)C1=O.
What is the InChIKey of (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one?
The InChIKey is RCNAETFNLVLZQJ-FXQIFTODSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-8-4-2-3-6(10(8)13)7-5-9(12)11-7/h6-8H,2-5H2,1H3,(H,11,12)/t6-,7-,8-/m0/s1.
What are the key properties of (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one?
(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one is sourced from PubChem (CID 15297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).