tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate

C14H23NO5 — CID 142858142

IUPACtert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate
SMILESCCOC(=O)N(CC1CCC(=O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-5-19-12(17)15(13(18)20-14(2,3)4)9-10-6-7-11(16)8-10/h10H,5-9H2,1-4H3
InChIKeyUWMNLKGEIDFHRM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate

tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate (PubChem CID 142858142) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate
PubChem CID142858142
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nametert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate
SMILESCCOC(=O)N(CC1CCC(=O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO5/c1-5-19-12(17)15(13(18)20-14(2,3)4)9-10-6-7-11(16)8-10/h10H,5-9H2,1-4H3
InChIKeyUWMNLKGEIDFHRM-UHFFFAOYSA-N
XLogP2.75
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclohexyl]-2-fluoroacetate
CID 142441422
tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate
CID 90876274
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941
tert-butyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 141145832
ethyl (1R)-3-oxocyclohexane-1-carboxylate
CID 6933063
tert-butyl N-[(3-hydroxy-6-bicyclo[3.1.0]hexanyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 154696883
ethyl (3-oxocyclohexyl)methyl carbonate
CID 53375262
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
CID 167201325
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
diethyl 2-methyl-2-(3-oxocycloheptyl)propanedioate
CID 101236747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate?
The IUPAC name of tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate (CID 142858142) is tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate is CCOC(=O)N(CC1CCC(=O)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate?
The InChIKey is UWMNLKGEIDFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-19-12(17)15(13(18)20-14(2,3)4)9-10-6-7-11(16)8-10/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate?
tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate is sourced from PubChem (CID 142858142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).