methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

C11H19NO4 — CID 11368186

IUPACmethyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-8(6-7-9(13)15-5)12-10(14)16-11(2,3)4/h6-8H,1-5H3,(H,12,14)/b7-6-/t8-/m1/s1
InChIKeyJRSYYLJDKVSNJH-NFXKFNAJSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds3

About methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (PubChem CID 11368186) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
PubChem CID11368186
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC(=O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-8(6-7-9(13)15-5)12-10(14)16-11(2,3)4/h6-8H,1-5H3,(H,12,14)/b7-6-/t8-/m1/s1
InChIKeyJRSYYLJDKVSNJH-NFXKFNAJSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-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

(2E)-4-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid
CID 5365046
(2E)-5-(((tert-butoxy)carbonyl)amino)pent-2-enoic acid
CID 13572523
methyl (E)-7-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohept-2-enoate
CID 44320555
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl (E)-4-oxopent-2-enoate
CID 155553536
2-Butenoic acid, 4-[(t-butoxycarbonyl)amino]-, ethyl ester
CID 5365139
(e)-Ethyl 4-(t-butoxycarbonylamino)-6-methylhept-2-enoate
CID 5365141
Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoate
CID 10243501
Ethyl (2E)-4-[(tert-butoxycarbonyl)amino]-6-methyl-2-heptenoate
CID 13713645
tert-butyl N-(6-oxo-3,6-dihydro-2H-pyran-3-yl)carbamate
CID 14409445
ethyl (E)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 177852664
Boc-dgV-OEt
CID 10084564
(E,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid
CID 14411434

Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The IUPAC name of methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (CID 11368186) is methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is COC(=O)/C=C\[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The InChIKey is JRSYYLJDKVSNJH-NFXKFNAJSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(6-7-9(13)15-5)12-10(14)16-11(2,3)4/h6-8H,1-5H3,(H,12,14)/b7-6-/t8-/m1/s1.
What are the key properties of methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is sourced from PubChem (CID 11368186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).