prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate

C15H20N4O5 — CID 166460080

IUPACprop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
SMILESC=CCOC(=O)CN(CCNC=O)C(=O)CCn1cccnc1=O
InChIInChI=1S/C15H20N4O5/c1-2-10-24-14(22)11-19(9-6-16-12-20)13(21)4-8-18-7-3-5-17-15(18)23/h2-3,5,7,12H,1,4,6,8-11H2,(H,16,20)
InChIKeyFIWHECXFVJZJDL-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.06
Rot. Bonds11

About prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate

prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate (PubChem CID 166460080) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
PubChem CID166460080
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Nameprop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
SMILESC=CCOC(=O)CN(CCNC=O)C(=O)CCn1cccnc1=O
InChIInChI=1S/C15H20N4O5/c1-2-10-24-14(22)11-19(9-6-16-12-20)13(21)4-8-18-7-3-5-17-15(18)23/h2-3,5,7,12H,1,4,6,8-11H2,(H,16,20)
InChIKeyFIWHECXFVJZJDL-UHFFFAOYSA-N
XLogP-1.06
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460079
Ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460115
Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
Ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 60811643
Ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 61342584
Ethyl 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 61808393
2-[2-Formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460117

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The IUPAC name of prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate (CID 166460080) is prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The canonical SMILES for prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate is C=CCOC(=O)CN(CCNC=O)C(=O)CCn1cccnc1=O.
What is the InChIKey of prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The InChIKey is FIWHECXFVJZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-2-10-24-14(22)11-19(9-6-16-12-20)13(21)4-8-18-7-3-5-17-15(18)23/h2-3,5,7,12H,1,4,6,8-11H2,(H,16,20).
What are the key properties of prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate has a molecular weight of 336.35 g/mol, XLogP of -1.06, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate is sourced from PubChem (CID 166460080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).