ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C14H25NO4 — CID 11680615

IUPACethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC=C(C(=O)OCC)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17)
InChIKeyUUZYGJHCYHBJJS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds5

About ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 11680615) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID11680615
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC=C(C(=O)OCC)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17)
InChIKeyUUZYGJHCYHBJJS-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
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

methyl (4R)-4-{[(tert-butoxy)carbonyl]amino}-5-methyl-2-methylidenehexanoate
CID 11011090
methyl (4R)-4-{[(tert-butoxy)carbonyl]amino}-2-methylidenepentanoate
CID 167734537
methyl (4S)-4-{[(tert-butoxy)carbonyl]amino}-5-methyl-2-methylidenehexanoate
CID 167742263
ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134940533
methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14064869
ethyl (3R)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 135064726
methyl (2Z,3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(tributylstannylmethylidene)hexanoate
CID 177553369
methyl (3R)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 150068825
methyl (3R)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 153603489
ethyl (Z,4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)hept-2-enoate
CID 10569255
Ethyl 5-methyl-2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 11098110
Ethyl 3-(ethoxycarbonylamino)-2-methylidenebutanoate
CID 11252888

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 11680615) is ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is C=C(C(=O)OCC)C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is UUZYGJHCYHBJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17).
What are the key properties of ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 271.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 11680615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).