(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one

C10H17NO2 — CID 22975023

IUPAC(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one
SMILESCC1(C[C@@H](O)C(=O)N2CCC2)CC1
InChIInChI=1S/C10H17NO2/c1-10(3-4-10)7-8(12)9(13)11-5-2-6-11/h8,12H,2-7H2,1H3/t8-/m1/s1
InChIKeyFFEUHQRBULSZFJ-MRVPVSSYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds3

About (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one

(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one (PubChem CID 22975023) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one
PubChem CID22975023
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one
SMILESCC1(C[C@@H](O)C(=O)N2CCC2)CC1
InChIInChI=1S/C10H17NO2/c1-10(3-4-10)7-8(12)9(13)11-5-2-6-11/h8,12H,2-7H2,1H3/t8-/m1/s1
InChIKeyFFEUHQRBULSZFJ-MRVPVSSYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one?
The IUPAC name of (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one (CID 22975023) is (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one.
What is the SMILES notation for (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one?
The canonical SMILES for (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one is CC1(C[C@@H](O)C(=O)N2CCC2)CC1.
What is the InChIKey of (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one?
The InChIKey is FFEUHQRBULSZFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(3-4-10)7-8(12)9(13)11-5-2-6-11/h8,12H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one?
(2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azetidin-1-yl)-2-hydroxy-3-(1-methylcyclopropyl)propan-1-one is sourced from PubChem (CID 22975023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).