(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one

C10H18BrNO2 — CID 102166145

IUPAC(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
SMILESCCCN1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr
InChIInChI=1S/C10H18BrNO2/c1-4-5-12-8(7(13)9(12)14)10(2,3)6-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeySXVPWEUFJQRXAG-YUMQZZPRSA-N
MW264.16 g/mol
LogP1.39
Rot. Bonds4

About (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one

(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one (PubChem CID 102166145) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
PubChem CID102166145
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one
SMILESCCCN1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr
InChIInChI=1S/C10H18BrNO2/c1-4-5-12-8(7(13)9(12)14)10(2,3)6-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeySXVPWEUFJQRXAG-YUMQZZPRSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one?
The IUPAC name of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one (CID 102166145) is (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one is CCCN1C(=O)[C@@H](O)[C@H]1C(C)(C)CBr.
What is the InChIKey of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one?
The InChIKey is SXVPWEUFJQRXAG-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-4-5-12-8(7(13)9(12)14)10(2,3)6-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one?
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one has a molecular weight of 264.16 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propylazetidin-2-one is sourced from PubChem (CID 102166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).