acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate

C11H22N2O6 — CID 18352582

IUPACacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
SMILESCC(=O)O.CCCC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H18N2O4.C2H4O2/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;1-2(3)4/h3-6H2,1-2H3,(H2,10,12)(H2,11,13);1H3,(H,3,4)
InChIKeyFEELYJAWIINUHY-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.07
Rot. Bonds6

About acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate

acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate (PubChem CID 18352582) has the molecular formula C11H22N2O6 and a molecular weight of 278.30 g/mol. Its IUPAC name is acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.

Molecular Properties

Compound Nameacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
PubChem CID18352582
Molecular FormulaC11H22N2O6
Molecular Weight278.30 g/mol
Exact Mass278.15
IUPAC Nameacetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
SMILESCC(=O)O.CCCC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H18N2O4.C2H4O2/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;1-2(3)4/h3-6H2,1-2H3,(H2,10,12)(H2,11,13);1H3,(H,3,4)
InChIKeyFEELYJAWIINUHY-UHFFFAOYSA-N
XLogP1.07
TPSA141.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
(2-methyl-2-propylpentyl) acetate
CID 89417633
acetic acid;ethyl carbamate
CID 157349378
2,2-dimethoxypentyl carbamate
CID 174780889
[2-[(4-benzoylbenzoyl)oxymethyl]-2-methylpentyl] 4-benzoylbenzoate
CID 155301055
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
1-hydroperoxy-2-(hydroperoxymethyl)-2-methylpentane
CID 87349470
4-methyl-4-propylheptanamide
CID 90273698
2-fluoro-2-methylpentanamide
CID 134346431
[2-[carbamoyloxy(dideuterio)methyl]-2-methylpentyl] N-propan-2-ylcarbamate
CID 45110489
carbamic acid;[2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylsulfanylcarbamate
CID 21149682

Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The IUPAC name of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate (CID 18352582) is acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.
What is the SMILES notation for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The canonical SMILES for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate is CC(=O)O.CCCC(C)(COC(N)=O)COC(N)=O.
What is the InChIKey of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
The InChIKey is FEELYJAWIINUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4.C2H4O2/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13;1-2(3)4/h3-6H2,1-2H3,(H2,10,12)(H2,11,13);1H3,(H,3,4).
What are the key properties of acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate?
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate has a molecular weight of 278.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate is sourced from PubChem (CID 18352582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).