methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate

C18H25NO4 — CID 163914436

IUPACmethyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
SMILESCOC(=O)C(C)(C/C=C/c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(4,15(20)22-5)13-9-12-14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,19,21)/b12-9+
InChIKeyQUZTXPJRXSPWMP-FMIVXFBMSA-N
MW319.40 g/mol
LogP3.55
Rot. Bonds5

About methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate

methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate (PubChem CID 163914436) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
PubChem CID163914436
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namemethyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
SMILESCOC(=O)C(C)(C/C=C/c1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(4,15(20)22-5)13-9-12-14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,19,21)/b12-9+
InChIKeyQUZTXPJRXSPWMP-FMIVXFBMSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-3-enoate
CID 42628245
tert-butyl (E,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-3-enoate
CID 42628246
methyl (E,2R)-2-acetamido-2-acetyl-5-phenylpent-4-enoate
CID 11460442
methyl (E,2R)-2-acetamido-5-phenylpent-4-enoate
CID 57683470
methyl (E,2S)-2-acetamido-5-phenylpent-4-enoate
CID 57683479
Boc-aMePhe(EtF)-OMe
CID 140294062
Methyl 3-(4-fluorophenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172558006
diethyl 2-acetamido-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 21849559
methyl (E)-2-acetamido-5-phenyl-2-propanoylpent-4-enoate
CID 9926462
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
trans-methyl (1R,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10968274
methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate
CID 10982674

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate?
The IUPAC name of methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate (CID 163914436) is methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate.
What is the SMILES notation for methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate?
The canonical SMILES for methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate is COC(=O)C(C)(C/C=C/c1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate?
The InChIKey is QUZTXPJRXSPWMP-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-18(4,15(20)22-5)13-9-12-14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,19,21)/b12-9+.
What are the key properties of methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate?
methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate has a molecular weight of 319.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate is sourced from PubChem (CID 163914436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).