(3-ethoxycyclopentyl) N-tert-butylcarbamate

C12H23NO3 — CID 162785975

IUPAC(3-ethoxycyclopentyl) N-tert-butylcarbamate
SMILESCCOC1CCC(OC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-5-15-9-6-7-10(8-9)16-11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyWOABWAHWPODUPA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.47
Rot. Bonds3

About (3-ethoxycyclopentyl) N-tert-butylcarbamate

(3-ethoxycyclopentyl) N-tert-butylcarbamate (PubChem CID 162785975) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3-ethoxycyclopentyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-ethoxycyclopentyl) N-tert-butylcarbamate
PubChem CID162785975
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3-ethoxycyclopentyl) N-tert-butylcarbamate
SMILESCCOC1CCC(OC(=O)NC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-5-15-9-6-7-10(8-9)16-11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyWOABWAHWPODUPA-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
[3-(hydroxymethyl)cyclohexyl] N-tert-butylcarbamate
CID 90910799
(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
CID 175304424
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
cyclopropyl N-(2-methylbutan-2-yl)carbamate
CID 165444750
1-tert-butyl-3-(3-ethoxycyclobutyl)urea
CID 105411107
(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride
CID 154699047
[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
CID 175281282
(3-ethoxycyclopentyl) 2-methylbutanoate
CID 168840248
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
[(1S,3R,4S)-3,4-dimethylcyclohexyl] N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
CID 162811188
[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
CID 175379340

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycyclopentyl) N-tert-butylcarbamate?
The IUPAC name of (3-ethoxycyclopentyl) N-tert-butylcarbamate (CID 162785975) is (3-ethoxycyclopentyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-ethoxycyclopentyl) N-tert-butylcarbamate?
The canonical SMILES for (3-ethoxycyclopentyl) N-tert-butylcarbamate is CCOC1CCC(OC(=O)NC(C)(C)C)C1.
What is the InChIKey of (3-ethoxycyclopentyl) N-tert-butylcarbamate?
The InChIKey is WOABWAHWPODUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-15-9-6-7-10(8-9)16-11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of (3-ethoxycyclopentyl) N-tert-butylcarbamate?
(3-ethoxycyclopentyl) N-tert-butylcarbamate has a molecular weight of 229.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycyclopentyl) N-tert-butylcarbamate is sourced from PubChem (CID 162785975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).