methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate

C15H19NO4 — CID 139248268

IUPACmethyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC[C@@](C)(NC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H19NO4/c1-4-10-15(2,13(17)19-3)16-14(18)20-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,16,18)/t15-/m1/s1
InChIKeyFITMUFDPUMCEGP-OAHLLOKOSA-N
MW277.32 g/mol
LogP2.42
Rot. Bonds6

About methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate

methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate (PubChem CID 139248268) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
PubChem CID139248268
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC[C@@](C)(NC(=O)OCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H19NO4/c1-4-10-15(2,13(17)19-3)16-14(18)20-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,16,18)/t15-/m1/s1
InChIKeyFITMUFDPUMCEGP-OAHLLOKOSA-N
XLogP2.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The IUPAC name of methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate (CID 139248268) is methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The canonical SMILES for methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate is C=CC[C@@](C)(NC(=O)OCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate?
The InChIKey is FITMUFDPUMCEGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-10-15(2,13(17)19-3)16-14(18)20-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,16,18)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate?
methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 139248268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).