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

C15H27NO3 — CID 57199576

IUPAC(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
SMILESCC(C)C[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)9-12-14(11(3)4)16(15(12)17)19-13-7-5-6-8-18-13/h10-14H,5-9H2,1-4H3/t12-,13?,14+/m1/s1
InChIKeyAHQAHLNGLOQBHE-YIOYIWSBSA-N
MW269.38 g/mol
LogP2.97
Rot. Bonds5

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

(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one (PubChem CID 57199576) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
PubChem CID57199576
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
SMILESCC(C)C[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)9-12-14(11(3)4)16(15(12)17)19-13-7-5-6-8-18-13/h10-14H,5-9H2,1-4H3/t12-,13?,14+/m1/s1
InChIKeyAHQAHLNGLOQBHE-YIOYIWSBSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one (CID 57199576) is (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one is CC(C)C[C@H]1C(=O)N(OC2CCCCO2)[C@H]1C(C)C.
What is the InChIKey of (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
The InChIKey is AHQAHLNGLOQBHE-YIOYIWSBSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)9-12-14(11(3)4)16(15(12)17)19-13-7-5-6-8-18-13/h10-14H,5-9H2,1-4H3/t12-,13?,14+/m1/s1.
What are the key properties of (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one?
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 57199576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).