3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide

C8H14N2O2 — CID 130676059

IUPAC3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(N)=O)C(=O)N1CCC1
InChIInChI=1S/C8H14N2O2/c1-8(2,6(9)11)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H2,9,11)
InChIKeyZTMLSQBZRMXADY-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.27
Rot. Bonds2

About 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide

3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 130676059) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide
PubChem CID130676059
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(N)=O)C(=O)N1CCC1
InChIInChI=1S/C8H14N2O2/c1-8(2,6(9)11)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H2,9,11)
InChIKeyZTMLSQBZRMXADY-UHFFFAOYSA-N
XLogP-0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429771
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958414
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
cyclopentane;2,2-dimethylpropanamide
CID 90008477
1-(azetidin-1-yl)ethanone
CID 14061673
cyclobutane;2,2-dimethylpropanamide
CID 145147245
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
3-bromo-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 58931523
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2-[4-(3-chloro-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]acetamide
CID 63665273
ethane;pyrrolidine-1-carboxamide
CID 144643607

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide (CID 130676059) is 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide is CC(C)(C(N)=O)C(=O)N1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is ZTMLSQBZRMXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,6(9)11)7(12)10-4-3-5-10/h3-5H2,1-2H3,(H2,9,11).
What are the key properties of 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide?
3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 170.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 130676059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).