(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate

C11H20N2O4 — CID 14363

IUPAC(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
SMILESCC(COC(N)=O)(COC(N)=O)C1CCCC1
InChIInChI=1S/C11H20N2O4/c1-11(6-16-9(12)14,7-17-10(13)15)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyMYCUGBCULANECB-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.37
Rot. Bonds5

About (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate

(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate (PubChem CID 14363) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
PubChem CID14363
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
SMILESCC(COC(N)=O)(COC(N)=O)C1CCCC1
InChIInChI=1S/C11H20N2O4/c1-11(6-16-9(12)14,7-17-10(13)15)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,12,14)(H2,13,15)
InChIKeyMYCUGBCULANECB-UHFFFAOYSA-N
XLogP1.37
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156905516
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
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5-cyclohexyl-5-methylnonanediamide
CID 70542890
(2-cyclopentyl-3-hydroxy-2-methylpropyl) 2-methylbut-2-enoate
CID 57193202
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
[cyclohexyl(diisocyanato)methyl]cyclohexane;ethyl carbamate
CID 118916406
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
(3-acetyloxy-2-cyclohexyl-2-fluoropropyl) acetate
CID 102438822

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate?
The IUPAC name of (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate (CID 14363) is (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate.
What is the SMILES notation for (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate?
The canonical SMILES for (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate is CC(COC(N)=O)(COC(N)=O)C1CCCC1.
What is the InChIKey of (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate?
The InChIKey is MYCUGBCULANECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(6-16-9(12)14,7-17-10(13)15)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate?
(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate has a molecular weight of 244.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate is sourced from PubChem (CID 14363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).