methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

C10H16FNO4 — CID 146454285

IUPACmethyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
SMILESCOC(=O)/C(F)=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h5H,6H2,1-4H3,(H,12,14)/b7-5-
InChIKeyWNTBQHXQEONUPA-ALCCZGGFSA-N
MW233.24 g/mol
LogP1.54
Rot. Bonds3

About methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate (PubChem CID 146454285) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
PubChem CID146454285
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Namemethyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
SMILESCOC(=O)/C(F)=C/CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h5H,6H2,1-4H3,(H,12,14)/b7-5-
InChIKeyWNTBQHXQEONUPA-ALCCZGGFSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate 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

2-Butenoic acid, 4-[(t-butoxycarbonyl)amino]-, ethyl ester
CID 5365139
ethyl (E)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 177852664
ethyl (2Z)-4-{[(tert-butoxy)carbonyl]amino}-2-fluorobut-2-enoate
CID 15698210
methyl (E)-2,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 58596056
ethyl (2E)-4-{[(tert-butoxy)carbonyl]amino}-2-fluorobut-2-enoate
CID 59588960
Ethyl 4-(Boc-amino)-2-fluoro-2-butenoate
CID 72333610
Methyl 2,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 76826308
4-{[(Tert-butoxy)carbonyl]amino}-2-fluorobut-2-enoic acid
CID 87455414
(E)-4-(Boc-amino)-2-fluoro-2-butenoic Acid
CID 129220678
tert-butyl N-[(E)-3-fluoro-4-methoxybut-2-enyl]carbamate
CID 143808678
Methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 153556056
2-Fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 154272806

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate (CID 146454285) is methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate is COC(=O)/C(F)=C/CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
The InChIKey is WNTBQHXQEONUPA-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h5H,6H2,1-4H3,(H,12,14)/b7-5-.
What are the key properties of methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate?
methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate has a molecular weight of 233.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate is sourced from PubChem (CID 146454285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).