tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid

C13H27FmN2O5- — CID 166169500

IUPACtert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid
SMILESCC(C)(C)OC=O.CCN(C)CC.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C5H13N.C5H10O2.C3H4NO3.Fm/c1-4-6(3)5-2;1-5(2,3)7-4-6;5-2-4-1-3(6)7;/h4-5H2,1-3H3;4H,1-3H3;1H2,(H,4,5)(H,6,7);/q;;-1;
InChIKeyATZPTRMMTICQFM-UHFFFAOYSA-N
MW548.37 g/mol
LogP0.64
Rot. Bonds6

About tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid

tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid (PubChem CID 166169500) has the molecular formula C13H27FmN2O5- and a molecular weight of 548.37 g/mol. Its IUPAC name is tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid.

Molecular Properties

Compound Nametert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid
PubChem CID166169500
Molecular FormulaC13H27FmN2O5-
Molecular Weight548.37 g/mol
Exact Mass548.29
IUPAC Nametert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid
SMILESCC(C)(C)OC=O.CCN(C)CC.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C5H13N.C5H10O2.C3H4NO3.Fm/c1-4-6(3)5-2;1-5(2,3)7-4-6;5-2-4-1-3(6)7;/h4-5H2,1-3H3;4H,1-3H3;1H2,(H,4,5)(H,6,7);/q;;-1;
InChIKeyATZPTRMMTICQFM-UHFFFAOYSA-N
XLogP0.64
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid?
The IUPAC name of tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid (CID 166169500) is tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid.
What is the SMILES notation for tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid?
The canonical SMILES for tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid is CC(C)(C)OC=O.CCN(C)CC.O=[C-]NCC(=O)O.[Fm].
What is the InChIKey of tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid?
The InChIKey is ATZPTRMMTICQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H10O2.C3H4NO3.Fm/c1-4-6(3)5-2;1-5(2,3)7-4-6;5-2-4-1-3(6)7;/h4-5H2,1-3H3;4H,1-3H3;1H2,(H,4,5)(H,6,7);/q;;-1;.
What are the key properties of tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid?
tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid has a molecular weight of 548.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-ethyl-N-methylethanamine;fermium;2-(oxomethylamino)acetic acid is sourced from PubChem (CID 166169500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).