[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate

C10H20N2O2 — CID 175831584

IUPAC[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
SMILESCC1(CCC(C)(C)OC(N)=O)CNC1
InChIInChI=1S/C10H20N2O2/c1-9(2,14-8(11)13)4-5-10(3)6-12-7-10/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyDCUJFKDCDJTADV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.25
Rot. Bonds4

About [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate

[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate (PubChem CID 175831584) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
PubChem CID175831584
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
SMILESCC1(CCC(C)(C)OC(N)=O)CNC1
InChIInChI=1S/C10H20N2O2/c1-9(2,14-8(11)13)4-5-10(3)6-12-7-10/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyDCUJFKDCDJTADV-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate (CID 175831584) is [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate is CC1(CCC(C)(C)OC(N)=O)CNC1.
What is the InChIKey of [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate?
The InChIKey is DCUJFKDCDJTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,14-8(11)13)4-5-10(3)6-12-7-10/h12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate?
[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate is sourced from PubChem (CID 175831584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).