[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate

C12H23NO3 — CID 142924239

IUPAC[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
SMILESCCOC1CCC(CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H23NO3/c1-4-15-10-6-5-9(7-10)8-12(2,3)16-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMIJADKKPFWWRHR-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.46
Rot. Bonds5

About [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate

[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate (PubChem CID 142924239) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
PubChem CID142924239
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
SMILESCCOC1CCC(CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H23NO3/c1-4-15-10-6-5-9(7-10)8-12(2,3)16-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMIJADKKPFWWRHR-UHFFFAOYSA-N
XLogP2.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate (CID 142924239) is [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate is CCOC1CCC(CC(C)(C)OC(N)=O)C1.
What is the InChIKey of [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is MIJADKKPFWWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-10-6-5-9(7-10)8-12(2,3)16-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate?
[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 142924239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).