methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate

C9H18N2O4 — CID 2165580

IUPACmethyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
SMILESCOC(=O)NCC(C)(C)CNC(=O)OC
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10-7(12)14-3)6-11-8(13)15-4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyDVSPIZMZDNAZOF-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds4

About methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate

methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate (PubChem CID 2165580) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
PubChem CID2165580
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
SMILESCOC(=O)NCC(C)(C)CNC(=O)OC
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10-7(12)14-3)6-11-8(13)15-4/h5-6H2,1-4H3,(H,10,12)(H,11,13)
InChIKeyDVSPIZMZDNAZOF-UHFFFAOYSA-N
XLogP0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 79006290
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
CID 139538581
tert-butyl N-(3-ethylsulfanyl-2,2-dimethylpropyl)carbamate
CID 166127236
tert-butyl N-[3-(3-bromo-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 147498058

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate?
The IUPAC name of methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate (CID 2165580) is methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate is COC(=O)NCC(C)(C)CNC(=O)OC.
What is the InChIKey of methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate?
The InChIKey is DVSPIZMZDNAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,5-10-7(12)14-3)6-11-8(13)15-4/h5-6H2,1-4H3,(H,10,12)(H,11,13).
What are the key properties of methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate?
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 2165580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).