[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

C10H20N2O4 — CID 6151

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IUPAC[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
SMILESCCC(C)C(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
InChIKeyLEROTMJVBFSIMP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.23
Rot. Bonds6

About [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate

[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate (PubChem CID 6151) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
PubChem CID6151
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
SMILESCCC(C)C(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
InChIKeyLEROTMJVBFSIMP-UHFFFAOYSA-N
XLogP1.23
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The IUPAC name of [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate (CID 6151) is [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.
What is the SMILES notation for [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The canonical SMILES for [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate is CCC(C)C(C)(COC(N)=O)COC(N)=O.
What is the InChIKey of [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
The InChIKey is LEROTMJVBFSIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14).
What are the key properties of [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate?
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate has a molecular weight of 232.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate is sourced from PubChem (CID 6151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).