methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

C11H22N2O4 — CID 88863473

IUPACmethyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)CC(C)(C)NC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-10(2,12-8(14)16-5)7-11(3,4)13-9(15)17-6/h7H2,1-6H3,(H,12,14)(H,13,15)
InChIKeyHOUMADRULBDEAJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds4

About methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (PubChem CID 88863473) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
PubChem CID88863473
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)CC(C)(C)NC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-10(2,12-8(14)16-5)7-11(3,4)13-9(15)17-6/h7H2,1-6H3,(H,12,14)(H,13,15)
InChIKeyHOUMADRULBDEAJ-UHFFFAOYSA-N
XLogP1.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 126603830
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 163815287
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
methyl N-[2-[(E)-2-(methoxycarbonylamino)butan-2-yldiazenyl]butan-2-yl]carbamate
CID 21431320
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175
2-amino-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 123216246
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methyl N-[(3S,4R)-3,4-diamino-4-methyl-2-oxohexan-3-yl]carbamate
CID 118890371
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The IUPAC name of methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (CID 88863473) is methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is COC(=O)NC(C)(C)CC(C)(C)NC(=O)OC.
What is the InChIKey of methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The InChIKey is HOUMADRULBDEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,12-8(14)16-5)7-11(3,4)13-9(15)17-6/h7H2,1-6H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is sourced from PubChem (CID 88863473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).