ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate

C12H22NO3P — CID 88509026

IUPACethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate
SMILESCCOC(=O)C(/C=C(\C)CP(C)CC)NC=O
InChIInChI=1S/C12H22NO3P/c1-5-16-12(15)11(13-9-14)7-10(3)8-17(4)6-2/h7,9,11H,5-6,8H2,1-4H3,(H,13,14)/b10-7+
InChIKeyVHLRNGTUVRGUSX-JXMROGBWSA-N
MW259.29 g/mol
LogP1.74
Rot. Bonds8

About ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate

ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate (PubChem CID 88509026) has the molecular formula C12H22NO3P and a molecular weight of 259.29 g/mol. Its IUPAC name is ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate
PubChem CID88509026
Molecular FormulaC12H22NO3P
Molecular Weight259.29 g/mol
Exact Mass259.13
IUPAC Nameethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate
SMILESCCOC(=O)C(/C=C(\C)CP(C)CC)NC=O
InChIInChI=1S/C12H22NO3P/c1-5-16-12(15)11(13-9-14)7-10(3)8-17(4)6-2/h7,9,11H,5-6,8H2,1-4H3,(H,13,14)/b10-7+
InChIKeyVHLRNGTUVRGUSX-JXMROGBWSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.74
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-diethoxyphosphoryl-2-formamidopent-3-enoate
CID 54022303
[4-(2-acetyloxypropyl)-7-ethoxy-6-formamido-2-methyl-7-oxo-3-propan-2-ylhept-4-en-3-yl]phosphonic acid
CID 173333570
ethyl (E)-4-benzyl-5-diethoxyphosphoryl-2-formamidopent-3-enoate
CID 86745092
methyl (E)-2-formamidohept-3-enoate
CID 19764893
ethyl 2-formamido-5-methylhex-4-enoate
CID 10465363
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
ethyl 4,4-difluoro-3-formamidobutanoate
CID 174664556
ethyl 3-cycloheptyl-2-formamido-3-hydroxypropanoate
CID 66205924
alumane;ethyl 3-oxopropanoate
CID 173333802
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
ethyl (2R)-2-(2-hydroxyhydrazinyl)-3-sulfanylidenepropanoate
CID 91177750
ethyl (4S)-4-[[(2R)-2-formamido-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 123230146

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate?
The IUPAC name of ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate (CID 88509026) is ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate.
What is the SMILES notation for ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate?
The canonical SMILES for ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate is CCOC(=O)C(/C=C(\C)CP(C)CC)NC=O.
What is the InChIKey of ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate?
The InChIKey is VHLRNGTUVRGUSX-JXMROGBWSA-N. The full InChI is InChI=1S/C12H22NO3P/c1-5-16-12(15)11(13-9-14)7-10(3)8-17(4)6-2/h7,9,11H,5-6,8H2,1-4H3,(H,13,14)/b10-7+.
What are the key properties of ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate?
ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate has a molecular weight of 259.29 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-[ethyl(methyl)phosphanyl]-2-formamido-4-methylpent-3-enoate is sourced from PubChem (CID 88509026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).