ethane;1-ethylpyrrolidine;2-formamidoacetic acid

C11H24N2O3 — CID 162750757

IUPACethane;1-ethylpyrrolidine;2-formamidoacetic acid
SMILESCC.CCN1CCCC1.O=CNCC(=O)O
InChIInChI=1S/C6H13N.C3H5NO3.C2H6/c1-2-7-5-3-4-6-7;5-2-4-1-3(6)7;1-2/h2-6H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3
InChIKeyRYGWBMLFAPZKRQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.95
Rot. Bonds4

About ethane;1-ethylpyrrolidine;2-formamidoacetic acid

ethane;1-ethylpyrrolidine;2-formamidoacetic acid (PubChem CID 162750757) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethane;1-ethylpyrrolidine;2-formamidoacetic acid.

Molecular Properties

Compound Nameethane;1-ethylpyrrolidine;2-formamidoacetic acid
PubChem CID162750757
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nameethane;1-ethylpyrrolidine;2-formamidoacetic acid
SMILESCC.CCN1CCCC1.O=CNCC(=O)O
InChIInChI=1S/C6H13N.C3H5NO3.C2H6/c1-2-7-5-3-4-6-7;5-2-4-1-3(6)7;1-2/h2-6H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3
InChIKeyRYGWBMLFAPZKRQ-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethanol;2-formamidoacetic acid;propane
CID 143106898
2-formamidoacetic acid
CID 170552381
2-formamidoacetic acid;hydrochloride
CID 174363412
ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
CID 174577281
1-ethylpiperidine
CID 13007
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine;2,2,2-trichloroacetic acid
CID 22623631
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
CID 82041147

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylpyrrolidine;2-formamidoacetic acid?
The IUPAC name of ethane;1-ethylpyrrolidine;2-formamidoacetic acid (CID 162750757) is ethane;1-ethylpyrrolidine;2-formamidoacetic acid.
What is the SMILES notation for ethane;1-ethylpyrrolidine;2-formamidoacetic acid?
The canonical SMILES for ethane;1-ethylpyrrolidine;2-formamidoacetic acid is CC.CCN1CCCC1.O=CNCC(=O)O.
What is the InChIKey of ethane;1-ethylpyrrolidine;2-formamidoacetic acid?
The InChIKey is RYGWBMLFAPZKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H5NO3.C2H6/c1-2-7-5-3-4-6-7;5-2-4-1-3(6)7;1-2/h2-6H2,1H3;2H,1H2,(H,4,5)(H,6,7);1-2H3.
What are the key properties of ethane;1-ethylpyrrolidine;2-formamidoacetic acid?
ethane;1-ethylpyrrolidine;2-formamidoacetic acid has a molecular weight of 232.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylpyrrolidine;2-formamidoacetic acid is sourced from PubChem (CID 162750757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).