methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate

C10H20N2O2 — CID 145349487

IUPACmethyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
SMILESCOC(=O)N(CC1CNC1)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14-4)7-8-5-11-6-8/h8,11H,5-7H2,1-4H3
InChIKeyOONNCNNIDMRFAJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.07
Rot. Bonds2

About methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate

methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate (PubChem CID 145349487) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate.

Molecular Properties

Compound Namemethyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
PubChem CID145349487
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
SMILESCOC(=O)N(CC1CNC1)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14-4)7-8-5-11-6-8/h8,11H,5-7H2,1-4H3
InChIKeyOONNCNNIDMRFAJ-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
CID 70517273
methyl N-(2-bromoethyl)-N-tert-butylcarbamate
CID 57482630
methyl N-tert-butyl-N-(3-oxopropyl)carbamate
CID 175088328
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
tert-butyl 2-(azetidin-3-ylmethylamino)acetate
CID 54262655
methyl N,N-ditert-butylcarbamate
CID 12567954
methyl N-[4-[acetyl(ethyl)amino]-4-oxobutyl]-N-tert-butylcarbamate
CID 178179531
methyl 3-[azetidin-3-yl(methyl)amino]-2,2-dimethylpropanoate
CID 79619984
methyl N-[(5-bromo-8-fluoro-3,4-dihydro-1H-isochromen-1-yl)methyl]-N-tert-butylcarbamate
CID 142753060
methyl N-[(4-bromophenyl)methyl]-N-tert-butylcarbamate
CID 142744297
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(pyrrolidin-3-ylmethyl)carbamate
CID 130191685

Frequently Asked Questions

What is the IUPAC name of methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate?
The IUPAC name of methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate (CID 145349487) is methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate.
What is the SMILES notation for methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate?
The canonical SMILES for methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate is COC(=O)N(CC1CNC1)C(C)(C)C.
What is the InChIKey of methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate?
The InChIKey is OONNCNNIDMRFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12(9(13)14-4)7-8-5-11-6-8/h8,11H,5-7H2,1-4H3.
What are the key properties of methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate?
methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate is sourced from PubChem (CID 145349487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).