methyl N-(3-methylbutan-2-yl)carbamate

C7H15NO2 — CID 3614647

IUPACmethyl N-(3-methylbutan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(3)8-7(9)10-4/h5-6H,1-4H3,(H,8,9)
InChIKeySWZPMDKCDACMHZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.39
Rot. Bonds2

About methyl N-(3-methylbutan-2-yl)carbamate

methyl N-(3-methylbutan-2-yl)carbamate (PubChem CID 3614647) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl N-(3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-methylbutan-2-yl)carbamate
PubChem CID3614647
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl N-(3-methylbutan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)6(3)8-7(9)10-4/h5-6H,1-4H3,(H,8,9)
InChIKeySWZPMDKCDACMHZ-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
CID 130457173
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
2-methoxy-N-(3-methylbutan-2-yl)propanamide
CID 115587528
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl N-(2,7-dimethyloctan-3-yl)carbamate
CID 144535621
methyl N-[2-(methoxycarbonylamino)-3-methylbutanoyl]carbamate
CID 141273313
1-methyl-3-(3-methylbutan-2-yl)urea
CID 115575176
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-methylbutan-2-yl)carbamate?
The IUPAC name of methyl N-(3-methylbutan-2-yl)carbamate (CID 3614647) is methyl N-(3-methylbutan-2-yl)carbamate.
What is the SMILES notation for methyl N-(3-methylbutan-2-yl)carbamate?
The canonical SMILES for methyl N-(3-methylbutan-2-yl)carbamate is COC(=O)NC(C)C(C)C.
What is the InChIKey of methyl N-(3-methylbutan-2-yl)carbamate?
The InChIKey is SWZPMDKCDACMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)6(3)8-7(9)10-4/h5-6H,1-4H3,(H,8,9).
What are the key properties of methyl N-(3-methylbutan-2-yl)carbamate?
methyl N-(3-methylbutan-2-yl)carbamate has a molecular weight of 145.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 3614647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).