ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate

C19H31FmN4O5- — CID 166460115

IUPACethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
SMILESC=CCOC(=O)CN(CCN[C-]=O)C(=O)CCn1cccnc1=O.CC.CC.[Fm]
InChIInChI=1S/C15H19N4O5.2C2H6.Fm/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;2*1-2;/h2-3,5,7H,1,4,6,8-11H2,(H,16,20);2*1-2H3;/q-1;;;
InChIKeyLZCZQUZUFOUTOB-UHFFFAOYSA-N
MW652.48 g/mol
LogP0.90
Rot. Bonds11

About ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate

ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate (PubChem CID 166460115) has the molecular formula C19H31FmN4O5- and a molecular weight of 652.48 g/mol. Its IUPAC name is ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
PubChem CID166460115
Molecular FormulaC19H31FmN4O5-
Molecular Weight652.48 g/mol
Exact Mass652.33
IUPAC Nameethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
SMILESC=CCOC(=O)CN(CCN[C-]=O)C(=O)CCn1cccnc1=O.CC.CC.[Fm]
InChIInChI=1S/C15H19N4O5.2C2H6.Fm/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;2*1-2;/h2-3,5,7H,1,4,6,8-11H2,(H,16,20);2*1-2H3;/q-1;;;
InChIKeyLZCZQUZUFOUTOB-UHFFFAOYSA-N
XLogP0.90
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.48
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate with MolForge

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Related Compounds

Fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460079
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551
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
Methyl 2-acetamido-3-(2-oxopyrimidin-1-yl)propanoate
CID 65442416
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 113258478
Prop-2-enyl 2-[2-formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460080
2-[2-Formamidoethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460117

Frequently Asked Questions

What is the IUPAC name of ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The IUPAC name of ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate (CID 166460115) is ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate.
What is the SMILES notation for ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The canonical SMILES for ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate is C=CCOC(=O)CN(CCN[C-]=O)C(=O)CCn1cccnc1=O.CC.CC.[Fm].
What is the InChIKey of ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
The InChIKey is LZCZQUZUFOUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4O5.2C2H6.Fm/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;2*1-2;/h2-3,5,7H,1,4,6,8-11H2,(H,16,20);2*1-2H3;/q-1;;;.
What are the key properties of ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate?
ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate has a molecular weight of 652.48 g/mol, XLogP of 0.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate is sourced from PubChem (CID 166460115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).