tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate

C15H29NO4 — CID 170190807

IUPACtert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate
SMILESCCOC1(O)CCCC1(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-6-19-15(18)9-7-8-14(15,5)10-11-16-12(17)20-13(2,3)4/h18H,6-11H2,1-5H3,(H,16,17)
InChIKeyUPLGABMPCCYLTD-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.82
Rot. Bonds5

About tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate

tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate (PubChem CID 170190807) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate
PubChem CID170190807
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate
SMILESCCOC1(O)CCCC1(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-6-19-15(18)9-7-8-14(15,5)10-11-16-12(17)20-13(2,3)4/h18H,6-11H2,1-5H3,(H,16,17)
InChIKeyUPLGABMPCCYLTD-UHFFFAOYSA-N
XLogP2.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-pentylcarbamate;bis(pentane)
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tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
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tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
[(3R)-1-hydroxy-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]methyl]pentan-3-yl]carbamic acid
CID 146629734
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[4-(propylamino)butyl]carbamate
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tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 125461960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate (CID 170190807) is tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate is CCOC1(O)CCCC1(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate?
The InChIKey is UPLGABMPCCYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-19-15(18)9-7-8-14(15,5)10-11-16-12(17)20-13(2,3)4/h18H,6-11H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate?
tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate has a molecular weight of 287.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethoxy-2-hydroxy-1-methylcyclopentyl)ethyl]carbamate is sourced from PubChem (CID 170190807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).