ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate

C15H25NO4 — CID 153328584

IUPACethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate
SMILESCCOC(=O)C(CC)=C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-12(13(17)19-7-2)10-8-11(9-10)16-14(18)20-15(3,4)5/h11H,6-9H2,1-5H3,(H,16,18)/b12-10-
InChIKeyBDUBFVZQUYTQDW-BENRWUELSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate

ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate (PubChem CID 153328584) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate
PubChem CID153328584
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate
SMILESCCOC(=O)C(CC)=C1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-6-12(13(17)19-7-2)10-8-11(9-10)16-14(18)20-15(3,4)5/h11H,6-9H2,1-5H3,(H,16,18)/b12-10-
InChIKeyBDUBFVZQUYTQDW-BENRWUELSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803
tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 25324125
tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973
ethyl (3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoate
CID 169159887
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate?
The IUPAC name of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate (CID 153328584) is ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate.
What is the SMILES notation for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate?
The canonical SMILES for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate is CCOC(=O)C(CC)=C1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate?
The InChIKey is BDUBFVZQUYTQDW-BENRWUELSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-12(13(17)19-7-2)10-8-11(9-10)16-14(18)20-15(3,4)5/h11H,6-9H2,1-5H3,(H,16,18)/b12-10-.
What are the key properties of ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate?
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate has a molecular weight of 283.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate is sourced from PubChem (CID 153328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).