propan-2-yl N-(1-methylazetidin-3-yl)carbamate

C8H16N2O2 — CID 131006466

IUPACpropan-2-yl N-(1-methylazetidin-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CN(C)C1
InChIInChI=1S/C8H16N2O2/c1-6(2)12-8(11)9-7-4-10(3)5-7/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyKLCAZPCGTXVGCT-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About propan-2-yl N-(1-methylazetidin-3-yl)carbamate

propan-2-yl N-(1-methylazetidin-3-yl)carbamate (PubChem CID 131006466) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is propan-2-yl N-(1-methylazetidin-3-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-methylazetidin-3-yl)carbamate
PubChem CID131006466
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepropan-2-yl N-(1-methylazetidin-3-yl)carbamate
SMILESCC(C)OC(=O)NC1CN(C)C1
InChIInChI=1S/C8H16N2O2/c1-6(2)12-8(11)9-7-4-10(3)5-7/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyKLCAZPCGTXVGCT-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-yl N-(thiolan-3-yl)carbamate
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propan-2-yl N-cyclohex-3-en-1-ylcarbamate
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(2R,5S)-2-carbamothioyl-5-(propan-2-yloxycarbonylamino)piperidine-1-carboxylic acid
CID 175718498
propan-2-yl N-[(3S)-1-cyclopropylsulfonylazepan-3-yl]carbamate
CID 96582119
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
CID 63044385
propan-2-yl N-(7-bicyclo[4.1.0]heptanyl)carbamate
CID 130694028
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
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2-methoxy-N-(1-methylazetidin-3-yl)acetamide
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propan-2-yl N-(2-methylcyclobutyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-methylazetidin-3-yl)carbamate?
The IUPAC name of propan-2-yl N-(1-methylazetidin-3-yl)carbamate (CID 131006466) is propan-2-yl N-(1-methylazetidin-3-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-methylazetidin-3-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1-methylazetidin-3-yl)carbamate is CC(C)OC(=O)NC1CN(C)C1.
What is the InChIKey of propan-2-yl N-(1-methylazetidin-3-yl)carbamate?
The InChIKey is KLCAZPCGTXVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)12-8(11)9-7-4-10(3)5-7/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of propan-2-yl N-(1-methylazetidin-3-yl)carbamate?
propan-2-yl N-(1-methylazetidin-3-yl)carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-methylazetidin-3-yl)carbamate is sourced from PubChem (CID 131006466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).