tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate

C13H19NO5 — CID 90876274

IUPACtert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate
SMILESCCOC(=O)N(C(=O)OC(C)(C)C)C1=CC(=O)CC1
InChIInChI=1S/C13H19NO5/c1-5-18-11(16)14(9-6-7-10(15)8-9)12(17)19-13(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVGWMSLNKMBHDOZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate

tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate (PubChem CID 90876274) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate
PubChem CID90876274
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Nametert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate
SMILESCCOC(=O)N(C(=O)OC(C)(C)C)C1=CC(=O)CC1
InChIInChI=1S/C13H19NO5/c1-5-18-11(16)14(9-6-7-10(15)8-9)12(17)19-13(2,3)4/h8H,5-7H2,1-4H3
InChIKeyVGWMSLNKMBHDOZ-UHFFFAOYSA-N
XLogP2.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-ethoxycarbonyl-N-[(3-oxocyclopentyl)methyl]carbamate
CID 142858142
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
diethyl 2-methyl-2-(3-oxocyclohexen-1-yl)propanedioate
CID 131861199
tert-butyl N-benzyl-N-(5-oxo-2H-pyran-3-yl)carbamate
CID 142389831
ethyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenyl-3,4-dihydropyrazole-4-carboxylate
CID 71132864
ethyl N-(2-cyclohexylpropan-2-yloxycarbonyl)-N-phenylcarbamate
CID 123933470
tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
CID 151133145
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
ethyl (2R,3R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methyl-3-phenylbutanoate
CID 134969933
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate?
The IUPAC name of tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate (CID 90876274) is tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate?
The canonical SMILES for tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate is CCOC(=O)N(C(=O)OC(C)(C)C)C1=CC(=O)CC1.
What is the InChIKey of tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate?
The InChIKey is VGWMSLNKMBHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-5-18-11(16)14(9-6-7-10(15)8-9)12(17)19-13(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate?
tert-butyl N-ethoxycarbonyl-N-(3-oxocyclopenten-1-yl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 2.63, 2 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-oxocyclopenten-1-yl)carbamate is sourced from PubChem (CID 90876274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).