tert-butyl 2-formamido-4-methylpent-4-enoate

C11H19NO3 — CID 10353162

IUPACtert-butyl 2-formamido-4-methylpent-4-enoate
SMILESC=C(C)CC(NC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)6-9(12-7-13)10(14)15-11(3,4)5/h7,9H,1,6H2,2-5H3,(H,12,13)
InChIKeyJCNBJZJLSCJUTI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds5

About tert-butyl 2-formamido-4-methylpent-4-enoate

tert-butyl 2-formamido-4-methylpent-4-enoate (PubChem CID 10353162) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-formamido-4-methylpent-4-enoate.

Molecular Properties

Compound Nametert-butyl 2-formamido-4-methylpent-4-enoate
PubChem CID10353162
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-formamido-4-methylpent-4-enoate
SMILESC=C(C)CC(NC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)6-9(12-7-13)10(14)15-11(3,4)5/h7,9H,1,6H2,2-5H3,(H,12,13)
InChIKeyJCNBJZJLSCJUTI-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 4712492
ethyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 140795894
tert-butyl (2S)-2-formamido-3,3-dimethylbutanoate;ethane
CID 143783019
tert-butyl (2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]pent-4-enoate
CID 101431905
tert-butyl 3-(2-fluorophenyl)-2-formamidopropanoate
CID 142321737
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]formamide
CID 178096823
ditert-butyl 2-[2-[2-[2-[2-[[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]butanedioate
CID 155093722
tert-butyl 3-formamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 167116055
acetylene;tert-butyl 2-(methylamino)-4-oxopentanoate;ethane
CID 142026196
tert-butyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethylamino]-4-oxopentanoate
CID 158511142
tert-butyl 4-methyl-2-(prop-2-enoylamino)pentanoate
CID 85256183

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formamido-4-methylpent-4-enoate?
The IUPAC name of tert-butyl 2-formamido-4-methylpent-4-enoate (CID 10353162) is tert-butyl 2-formamido-4-methylpent-4-enoate.
What is the SMILES notation for tert-butyl 2-formamido-4-methylpent-4-enoate?
The canonical SMILES for tert-butyl 2-formamido-4-methylpent-4-enoate is C=C(C)CC(NC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-formamido-4-methylpent-4-enoate?
The InChIKey is JCNBJZJLSCJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)6-9(12-7-13)10(14)15-11(3,4)5/h7,9H,1,6H2,2-5H3,(H,12,13).
What are the key properties of tert-butyl 2-formamido-4-methylpent-4-enoate?
tert-butyl 2-formamido-4-methylpent-4-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formamido-4-methylpent-4-enoate is sourced from PubChem (CID 10353162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).