3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one

C8H14N2O2 — CID 164650047

IUPAC3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one
SMILESCO[C@@]1(C)C[C@H]1N1CC(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-8(12-2)3-6(8)10-4-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3/t5?,6-,8+/m1/s1
InChIKeyQMFMAOQAMVOAPI-KGVBDCLMSA-N
MW170.21 g/mol
LogP-0.67
Rot. Bonds2

About 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one

3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one (PubChem CID 164650047) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one
PubChem CID164650047
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one
SMILESCO[C@@]1(C)C[C@H]1N1CC(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-8(12-2)3-6(8)10-4-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3/t5?,6-,8+/m1/s1
InChIKeyQMFMAOQAMVOAPI-KGVBDCLMSA-N
XLogP-0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-methylazetidin-2-one
CID 70338843
3-amino-1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-2-one
CID 79359236
(3S)-3-amino-1-methylazetidin-2-one;hydron
CID 131858386
3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83028716
3-amino-1-(thiolan-3-yl)azetidin-2-one
CID 103065563
3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
CID 83039430
(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
CID 10931654
(3R)-3-amino-1-tert-butylazetidin-2-one
CID 175542547
3-amino-1-(2-methoxypropyl)azetidin-2-one
CID 102702135
3-amino-1-oxidoazetidin-2-one
CID 88622813
(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
CID 11435079
3-amino-1-[2-(1-methylcyclopentyl)ethyl]azetidin-2-one
CID 126983370

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one?
The IUPAC name of 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one (CID 164650047) is 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one.
What is the SMILES notation for 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one?
The canonical SMILES for 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one is CO[C@@]1(C)C[C@H]1N1CC(N)C1=O.
What is the InChIKey of 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one?
The InChIKey is QMFMAOQAMVOAPI-KGVBDCLMSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(12-2)3-6(8)10-4-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3/t5?,6-,8+/m1/s1.
What are the key properties of 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one?
3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1R,2S)-2-methoxy-2-methylcyclopropyl]azetidin-2-one is sourced from PubChem (CID 164650047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).