(3-carbamoyloxy-4-methylpentan-2-yl) carbamate

C8H16N2O4 — CID 140688379

IUPAC(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
SMILESCC(C)C(OC(N)=O)C(C)OC(N)=O
InChIInChI=1S/C8H16N2O4/c1-4(2)6(14-8(10)12)5(3)13-7(9)11/h4-6H,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHJWWUSBOWHNNNZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.59
Rot. Bonds4

About (3-carbamoyloxy-4-methylpentan-2-yl) carbamate

(3-carbamoyloxy-4-methylpentan-2-yl) carbamate (PubChem CID 140688379) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3-carbamoyloxy-4-methylpentan-2-yl) carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
PubChem CID140688379
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
SMILESCC(C)C(OC(N)=O)C(C)OC(N)=O
InChIInChI=1S/C8H16N2O4/c1-4(2)6(14-8(10)12)5(3)13-7(9)11/h4-6H,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHJWWUSBOWHNNNZ-UHFFFAOYSA-N
XLogP0.59
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxybutan-2-yl carbamate
CID 88788189
3-hydroxybutan-2-yl carbamate
CID 20700654
(2,6-dimethyl-4-propan-2-ylheptan-3-yl) carbamate
CID 143520251
azane;propan-2-yl carbamate
CID 172769477
3-phenoxybutan-2-yl carbamate
CID 67862078
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
[(2R)-1-chloro-3-methyl-1-oxobutan-2-yl] carbamate
CID 175483602
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
CID 68641962
[(2R)-3-methylbutan-2-yl] (2R)-2-hydroxypropanoate
CID 171574297
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
CID 87581677

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-4-methylpentan-2-yl) carbamate?
The IUPAC name of (3-carbamoyloxy-4-methylpentan-2-yl) carbamate (CID 140688379) is (3-carbamoyloxy-4-methylpentan-2-yl) carbamate.
What is the SMILES notation for (3-carbamoyloxy-4-methylpentan-2-yl) carbamate?
The canonical SMILES for (3-carbamoyloxy-4-methylpentan-2-yl) carbamate is CC(C)C(OC(N)=O)C(C)OC(N)=O.
What is the InChIKey of (3-carbamoyloxy-4-methylpentan-2-yl) carbamate?
The InChIKey is HJWWUSBOWHNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4(2)6(14-8(10)12)5(3)13-7(9)11/h4-6H,1-3H3,(H2,9,11)(H2,10,12).
What are the key properties of (3-carbamoyloxy-4-methylpentan-2-yl) carbamate?
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-4-methylpentan-2-yl) carbamate is sourced from PubChem (CID 140688379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).