ethane;methyl 2-formamidoacetate;pyrrolidine

C10H22N2O3 — CID 144594461

IUPACethane;methyl 2-formamidoacetate;pyrrolidine
SMILESC1CCNC1.CC.COC(=O)CNC=O
InChIInChI=1S/C4H7NO3.C4H9N.C2H6/c1-8-4(7)2-5-3-6;1-2-4-5-3-1;1-2/h3H,2H2,1H3,(H,5,6);5H,1-4H2;1-2H3
InChIKeyFBLWUXBNVZXELT-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.30
Rot. Bonds3

About ethane;methyl 2-formamidoacetate;pyrrolidine

ethane;methyl 2-formamidoacetate;pyrrolidine (PubChem CID 144594461) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;methyl 2-formamidoacetate;pyrrolidine.

Molecular Properties

Compound Nameethane;methyl 2-formamidoacetate;pyrrolidine
PubChem CID144594461
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nameethane;methyl 2-formamidoacetate;pyrrolidine
SMILESC1CCNC1.CC.COC(=O)CNC=O
InChIInChI=1S/C4H7NO3.C4H9N.C2H6/c1-8-4(7)2-5-3-6;1-2-4-5-3-1;1-2/h3H,2H2,1H3,(H,5,6);5H,1-4H2;1-2H3
InChIKeyFBLWUXBNVZXELT-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-formamidoacetate;pyrrolidine?
The IUPAC name of ethane;methyl 2-formamidoacetate;pyrrolidine (CID 144594461) is ethane;methyl 2-formamidoacetate;pyrrolidine.
What is the SMILES notation for ethane;methyl 2-formamidoacetate;pyrrolidine?
The canonical SMILES for ethane;methyl 2-formamidoacetate;pyrrolidine is C1CCNC1.CC.COC(=O)CNC=O.
What is the InChIKey of ethane;methyl 2-formamidoacetate;pyrrolidine?
The InChIKey is FBLWUXBNVZXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.C4H9N.C2H6/c1-8-4(7)2-5-3-6;1-2-4-5-3-1;1-2/h3H,2H2,1H3,(H,5,6);5H,1-4H2;1-2H3.
What are the key properties of ethane;methyl 2-formamidoacetate;pyrrolidine?
ethane;methyl 2-formamidoacetate;pyrrolidine has a molecular weight of 218.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-formamidoacetate;pyrrolidine is sourced from PubChem (CID 144594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).