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

Analyze 2,3-dihydroxybutanedioic acid;1-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
1-ethylpiperidine;2,2,2-trichloroacetic acid
CID 22623631
1-ethylpiperidine;methane
CID 162133943
ethane;1-ethylpiperidine
CID 90845344
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-ethylpyrrolidine;2-methylprop-2-enamide
CID 163676291
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
tetrakis(carbonofluoridic acid);tetrakis(1-propylpyrrolidine)
CID 173154701
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606

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).