(1-aminocyclopentyl)methyl 2-methylpropyl carbonate

C11H21NO3 — CID 79337036

IUPAC(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1(N)CCCC1
InChIInChI=1S/C11H21NO3/c1-9(2)7-14-10(13)15-8-11(12)5-3-4-6-11/h9H,3-8,12H2,1-2H3
InChIKeyYUBRFFPLYLHRFH-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.07
Rot. Bonds4

About (1-aminocyclopentyl)methyl 2-methylpropyl carbonate

(1-aminocyclopentyl)methyl 2-methylpropyl carbonate (PubChem CID 79337036) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (1-aminocyclopentyl)methyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
PubChem CID79337036
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OCC1(N)CCCC1
InChIInChI=1S/C11H21NO3/c1-9(2)7-14-10(13)15-8-11(12)5-3-4-6-11/h9H,3-8,12H2,1-2H3
InChIKeyYUBRFFPLYLHRFH-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)methyl 2-methylpropyl carbonate?
The IUPAC name of (1-aminocyclopentyl)methyl 2-methylpropyl carbonate (CID 79337036) is (1-aminocyclopentyl)methyl 2-methylpropyl carbonate.
What is the SMILES notation for (1-aminocyclopentyl)methyl 2-methylpropyl carbonate?
The canonical SMILES for (1-aminocyclopentyl)methyl 2-methylpropyl carbonate is CC(C)COC(=O)OCC1(N)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)methyl 2-methylpropyl carbonate?
The InChIKey is YUBRFFPLYLHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)7-14-10(13)15-8-11(12)5-3-4-6-11/h9H,3-8,12H2,1-2H3.
What are the key properties of (1-aminocyclopentyl)methyl 2-methylpropyl carbonate?
(1-aminocyclopentyl)methyl 2-methylpropyl carbonate has a molecular weight of 215.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)methyl 2-methylpropyl carbonate is sourced from PubChem (CID 79337036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).