(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one

C16H29NO3 — CID 11098054

IUPAC(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
SMILESCC(C)CC[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)8-9-13-15(12(3)4)17(16(13)18)20-14-7-5-6-10-19-14/h11-15H,5-10H2,1-4H3/t13-,14?,15+/m1/s1
InChIKeyAHNAOSXTPZGIHY-LOWNFYCTSA-N
MW283.41 g/mol
LogP3.36
Rot. Bonds6

About (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one

(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one (PubChem CID 11098054) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
PubChem CID11098054
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
SMILESCC(C)CC[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)8-9-13-15(12(3)4)17(16(13)18)20-14-7-5-6-10-19-14/h11-15H,5-10H2,1-4H3/t13-,14?,15+/m1/s1
InChIKeyAHNAOSXTPZGIHY-LOWNFYCTSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
(3R,4S)-4-benzyl-3-(3-methylbutyl)-1-(oxan-2-yloxy)azetidin-2-one
CID 10936465
3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
CID 54244937
4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
CID 18333989
(3R,4S)-3-[3-(4-chlorophenyl)propyl]-4-methyl-1-(oxan-2-yloxy)azetidin-2-one
CID 57026434
4-methyl-1-(oxan-2-yloxy)-3-(5-phenylpentyl)azetidin-2-one
CID 21268070
(3R,4S)-4-methyl-1-(oxan-2-yloxy)-3-[(4-phenylcyclohexyl)methyl]azetidin-2-one
CID 56987650
2-(6-methylheptoxy)oxane
CID 139685112
4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
CID 21268063
3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one
CID 23333030
(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
CID 67946379
1,3-bis(oxan-2-yloxy)-1,3-diazepane-2,4,7-trione
CID 10783459

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one (CID 11098054) is (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one is CC(C)CC[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C.
What is the InChIKey of (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The InChIKey is AHNAOSXTPZGIHY-LOWNFYCTSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)8-9-13-15(12(3)4)17(16(13)18)20-14-7-5-6-10-19-14/h11-15H,5-10H2,1-4H3/t13-,14?,15+/m1/s1.
What are the key properties of (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
(3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one has a molecular weight of 283.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3-methylbutyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 11098054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).