2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine

C10H19NO6 — CID 174577281

IUPAC2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
SMILESCCN1CCCC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H13N.C4H6O6/c1-2-7-5-3-4-6-7;5-1(3(7)8)2(6)4(9)10/h2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZMWHKVLTMWWMQZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP-1.02
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine

2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine (PubChem CID 174577281) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
PubChem CID174577281
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine
SMILESCCN1CCCC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H13N.C4H6O6/c1-2-7-5-3-4-6-7;5-1(3(7)8)2(6)4(9)10/h2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyZMWHKVLTMWWMQZ-UHFFFAOYSA-N
XLogP-1.02
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine (CID 174577281) is 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine is CCN1CCCC1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine?
The InChIKey is ZMWHKVLTMWWMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H6O6/c1-2-7-5-3-4-6-7;5-1(3(7)8)2(6)4(9)10/h2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine?
2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine has a molecular weight of 249.26 g/mol, XLogP of -1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine is sourced from PubChem (CID 174577281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).