ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

C11H19NO4 — CID 10633164

IUPACethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
SMILESC/C=C(\NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-6-8(9(13)15-7-2)12-10(14)16-11(3,4)5/h6H,7H2,1-5H3,(H,12,14)/b8-6-
InChIKeyMJECYUFUIRLDDW-VURMDHGXSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds3

About ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate (PubChem CID 10633164) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
PubChem CID10633164
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
SMILESC/C=C(\NC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-6-8(9(13)15-7-2)12-10(14)16-11(3,4)5/h6H,7H2,1-5H3,(H,12,14)/b8-6-
InChIKeyMJECYUFUIRLDDW-VURMDHGXSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
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 (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 101049189
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 15458544
ethyl 2-(ethoxycarbonylamino)but-2-enoate
CID 174562538
ethyl (E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 102101774
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
ethyl (Z)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 101204979
ethyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 11336027
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
(2-methylpropan-2-yl)oxycarbonylcarbamic acid
CID 15431621
methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 14370745
acetylene;diethyl 2-ethylidenepropanedioate
CID 90822746
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The IUPAC name of ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate (CID 10633164) is ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate.
What is the SMILES notation for ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The canonical SMILES for ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate is C/C=C(\NC(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The InChIKey is MJECYUFUIRLDDW-VURMDHGXSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-8(9(13)15-7-2)12-10(14)16-11(3,4)5/h6H,7H2,1-5H3,(H,12,14)/b8-6-.
What are the key properties of ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate is sourced from PubChem (CID 10633164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).