fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid

C12H15FmN4O5- — CID 166460116

IUPACfermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
SMILESO=[C-]NCCN(CC(=O)O)C(=O)CCn1cccnc1=O.[Fm]
InChIInChI=1S/C12H15N4O5.Fm/c17-9-13-4-7-16(8-11(19)20)10(18)2-6-15-5-1-3-14-12(15)21;/h1,3,5H,2,4,6-8H2,(H,13,17)(H,19,20);/q-1;
InChIKeyIZIUBGAGAQXPIC-UHFFFAOYSA-N
MW552.28 g/mol
LogP-1.80
Rot. Bonds9

About fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid

fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid (PubChem CID 166460116) has the molecular formula C12H15FmN4O5- and a molecular weight of 552.28 g/mol. Its IUPAC name is fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Namefermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
PubChem CID166460116
Molecular FormulaC12H15FmN4O5-
Molecular Weight552.28 g/mol
Exact Mass552.20
IUPAC Namefermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
SMILESO=[C-]NCCN(CC(=O)O)C(=O)CCn1cccnc1=O.[Fm]
InChIInChI=1S/C12H15N4O5.Fm/c17-9-13-4-7-16(8-11(19)20)10(18)2-6-15-5-1-3-14-12(15)21;/h1,3,5H,2,4,6-8H2,(H,13,17)(H,19,20);/q-1;
InChIKeyIZIUBGAGAQXPIC-UHFFFAOYSA-N
XLogP-1.80
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-[[2-(4-Amino-2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 17878899
2-[2-aminoethyl-[2-[(2-oxo-1H-pyrimidin-6-yl)amino]acetyl]amino]acetic acid
CID 53837262
Fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460079
2-[3-(2-Oxopyrimidin-1-yl)propanoylamino]acetic acid
CID 175842758
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
4-Amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43357093
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43360866
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551

Frequently Asked Questions

What is the IUPAC name of fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid?
The IUPAC name of fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid (CID 166460116) is fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid?
The canonical SMILES for fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid is O=[C-]NCCN(CC(=O)O)C(=O)CCn1cccnc1=O.[Fm].
What is the InChIKey of fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid?
The InChIKey is IZIUBGAGAQXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N4O5.Fm/c17-9-13-4-7-16(8-11(19)20)10(18)2-6-15-5-1-3-14-12(15)21;/h1,3,5H,2,4,6-8H2,(H,13,17)(H,19,20);/q-1;.
What are the key properties of fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid?
fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid has a molecular weight of 552.28 g/mol, XLogP of -1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 166460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).