methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate

C15H17NO4 — CID 11357835

IUPACmethyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC(=C)C(NC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H17NO4/c1-4-11(2)13(14(17)19-3)16-15(18)20-10-12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3,(H,16,18)
InChIKeyGAMXFGWSRULWQT-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.20
Rot. Bonds6

About methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate

methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate (PubChem CID 11357835) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate
PubChem CID11357835
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC(=C)C(NC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H17NO4/c1-4-11(2)13(14(17)19-3)16-15(18)20-10-12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3,(H,16,18)
InChIKeyGAMXFGWSRULWQT-UHFFFAOYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
methyl 3,3-dimethyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 15295900
methyl 2-ethenyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 101029645
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
methyl 3,3-dicyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 168869008
benzyl (2S)-2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780336
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl 2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780335
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559
methyl 4-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 77177528

Frequently Asked Questions

What is the IUPAC name of methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The IUPAC name of methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate (CID 11357835) is methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The canonical SMILES for methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate is C=CC(=C)C(NC(=O)OCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The InChIKey is GAMXFGWSRULWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-11(2)13(14(17)19-3)16-15(18)20-10-12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3,(H,16,18).
What are the key properties of methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate?
methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate has a molecular weight of 275.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylidene-2-(phenylmethoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 11357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).