methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate

C10H20N2O4 — CID 20805046

IUPACmethyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
SMILESCOC(=O)NCC(NC(=O)OC)C(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)7(12-9(14)16-5)6-11-8(13)15-4/h7H,6H2,1-5H3,(H,11,13)(H,12,14)
InChIKeyWYJGMQQTOIVJPJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.11
Rot. Bonds3

About methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate

methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 20805046) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
PubChem CID20805046
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
SMILESCOC(=O)NCC(NC(=O)OC)C(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)7(12-9(14)16-5)6-11-8(13)15-4/h7H,6H2,1-5H3,(H,11,13)(H,12,14)
InChIKeyWYJGMQQTOIVJPJ-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
tert-butyl N-[(2R)-1-(2-bromoethoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 91601633
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
methyl N-[(2S)-3,3-dimethyl-1-nitrobutan-2-yl]carbamate
CID 24867821
benzyl N-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 77305296
methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
CID 54287904
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
CID 143025368
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 163815287

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate (CID 20805046) is methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate is COC(=O)NCC(NC(=O)OC)C(C)(C)C.
What is the InChIKey of methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is WYJGMQQTOIVJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)7(12-9(14)16-5)6-11-8(13)15-4/h7H,6H2,1-5H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate?
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 20805046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).