(1-acetylazetidin-3-yl) carbamate

C6H10N2O3 — CID 155065317

IUPAC(1-acetylazetidin-3-yl) carbamate
SMILESCC(=O)N1CC(OC(N)=O)C1
InChIInChI=1S/C6H10N2O3/c1-4(9)8-2-5(3-8)11-6(7)10/h5H,2-3H2,1H3,(H2,7,10)
InChIKeyXJIFAYRSEIDDKH-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.69
Rot. Bonds1

About (1-acetylazetidin-3-yl) carbamate

(1-acetylazetidin-3-yl) carbamate (PubChem CID 155065317) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl) carbamate.

Molecular Properties

Compound Name(1-acetylazetidin-3-yl) carbamate
PubChem CID155065317
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(1-acetylazetidin-3-yl) carbamate
SMILESCC(=O)N1CC(OC(N)=O)C1
InChIInChI=1S/C6H10N2O3/c1-4(9)8-2-5(3-8)11-6(7)10/h5H,2-3H2,1H3,(H2,7,10)
InChIKeyXJIFAYRSEIDDKH-UHFFFAOYSA-N
XLogP-0.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233
3-acetyloxyazetidine-1-carboxylic acid
CID 66685797
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
[(3R,4R,5R,6R)-1-acetyl-4,5,6-triacetyloxyazepan-3-yl] acetate
CID 10761870
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(4-methylcyclohexyl) carbamate
CID 22083226
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-acetylazetidine-3-sulfonamide
CID 137380120
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455

Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl) carbamate?
The IUPAC name of (1-acetylazetidin-3-yl) carbamate (CID 155065317) is (1-acetylazetidin-3-yl) carbamate.
What is the SMILES notation for (1-acetylazetidin-3-yl) carbamate?
The canonical SMILES for (1-acetylazetidin-3-yl) carbamate is CC(=O)N1CC(OC(N)=O)C1.
What is the InChIKey of (1-acetylazetidin-3-yl) carbamate?
The InChIKey is XJIFAYRSEIDDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)8-2-5(3-8)11-6(7)10/h5H,2-3H2,1H3,(H2,7,10).
What are the key properties of (1-acetylazetidin-3-yl) carbamate?
(1-acetylazetidin-3-yl) carbamate has a molecular weight of 158.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylazetidin-3-yl) carbamate is sourced from PubChem (CID 155065317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).