tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

C12H21NO4 — CID 164678963

IUPACtert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-11(2,3)16-9(14)7-8-13-10(15)17-12(4,5)6/h7-8H,1-6H3,(H,13,15)/b8-7-
InChIKeyGANMLKPEKMZXLW-FPLPWBNLSA-N
MW243.30 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate (PubChem CID 164678963) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
PubChem CID164678963
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-11(2,3)16-9(14)7-8-13-10(15)17-12(4,5)6/h7-8H,1-6H3,(H,13,15)/b8-7-
InChIKeyGANMLKPEKMZXLW-FPLPWBNLSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.37
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

tert-butyl (E)-3-iodoprop-2-enoate
CID 10999580
tert-butyl N-[(1E)-penta-1,3-dienyl]carbamate
CID 149434182
CID 58186857
CID 58186857
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993
tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
CID 74018986
methane;4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 173377461
tert-butyl N-[2-(2-hydroxyphenyl)ethenyl]carbamate
CID 175281086
tert-butyl N-[(Z)-3-imino-3-(oxan-4-yl)prop-1-enyl]carbamate
CID 166993801
tert-butyl (E)-5,5-difluorohex-2-enoate
CID 89148535
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The IUPAC name of tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate (CID 164678963) is tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The canonical SMILES for tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate is CC(C)(C)OC(=O)/C=C\NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
The InChIKey is GANMLKPEKMZXLW-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,3)16-9(14)7-8-13-10(15)17-12(4,5)6/h7-8H,1-6H3,(H,13,15)/b8-7-.
What are the key properties of tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate?
tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate has a molecular weight of 243.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate is sourced from PubChem (CID 164678963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).