methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate

C9H14N2O4 — CID 19909486

IUPACmethyl 2-[(2-formamidoacetyl)amino]pent-4-enoate
SMILESC=CCC(NC(=O)CNC=O)C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-3-4-7(9(14)15-2)11-8(13)5-10-6-12/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13)
InChIKeyCJHNGRVREJDQGY-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.03
Rot. Bonds7

About methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate

methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate (PubChem CID 19909486) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-formamidoacetyl)amino]pent-4-enoate
PubChem CID19909486
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 2-[(2-formamidoacetyl)amino]pent-4-enoate
SMILESC=CCC(NC(=O)CNC=O)C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-3-4-7(9(14)15-2)11-8(13)5-10-6-12/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13)
InChIKeyCJHNGRVREJDQGY-UHFFFAOYSA-N
XLogP-1.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate?
The IUPAC name of methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate (CID 19909486) is methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate.
What is the SMILES notation for methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate?
The canonical SMILES for methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate is C=CCC(NC(=O)CNC=O)C(=O)OC.
What is the InChIKey of methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate?
The InChIKey is CJHNGRVREJDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-4-7(9(14)15-2)11-8(13)5-10-6-12/h3,6-7H,1,4-5H2,2H3,(H,10,12)(H,11,13).
What are the key properties of methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate?
methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate has a molecular weight of 214.22 g/mol, XLogP of -1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-formamidoacetyl)amino]pent-4-enoate is sourced from PubChem (CID 19909486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).