methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

C11H22N2O4 — CID 163815287

IUPACmethyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCOC(=O)NCC(C)CC(C)(C)NC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-8(7-12-9(14)16-4)6-11(2,3)13-10(15)17-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyNQUKBOQAVAOYDM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds5

About methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (PubChem CID 163815287) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
PubChem CID163815287
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCOC(=O)NCC(C)CC(C)(C)NC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-8(7-12-9(14)16-4)6-11(2,3)13-10(15)17-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyNQUKBOQAVAOYDM-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
methyl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66107566
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
methyl N-[1-(methoxycarbonylamino)-3,3-dimethylbutan-2-yl]carbamate
CID 20805046
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
CID 143883094
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
[(4S)-4-(methoxymethyl)-2,5,5-trimethylhexan-2-yl]carbamic acid
CID 175357613
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The IUPAC name of methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (CID 163815287) is methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is COC(=O)NCC(C)CC(C)(C)NC(=O)OC.
What is the InChIKey of methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The InChIKey is NQUKBOQAVAOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(7-12-9(14)16-4)6-11(2,3)13-10(15)17-5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is sourced from PubChem (CID 163815287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).