3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one

C8H16N2O2 — CID 107219264

IUPAC3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CC(C)(O)C1
InChIInChI=1S/C8H16N2O2/c1-6(3-9)7(11)10-4-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3
InChIKeyPNDMBBYIQDSYNP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.83
Rot. Bonds2

About 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one

3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one (PubChem CID 107219264) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
PubChem CID107219264
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CC(C)(O)C1
InChIInChI=1S/C8H16N2O2/c1-6(3-9)7(11)10-4-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3
InChIKeyPNDMBBYIQDSYNP-UHFFFAOYSA-N
XLogP-0.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
4-amino-5-(3-hydroxy-3-methylazetidin-1-yl)-5-oxopentanoic acid
CID 107219249
6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
CID 107219338
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219374
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
2,2-di(cyclobutyl)-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 112745047
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 107218972
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one (CID 107219264) is 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one is CC(CN)C(=O)N1CC(C)(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one?
The InChIKey is PNDMBBYIQDSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(3-9)7(11)10-4-8(2,12)5-10/h6,12H,3-5,9H2,1-2H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one?
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107219264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).