2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide

C22H26N2O7 — CID 19007317

IUPAC2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCNC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyHRXFENQYWZZQMX-UHFFFAOYSA-N
MW430.46 g/mol
LogP-0.06
Rot. Bonds7

About 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide

2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide (PubChem CID 19007317) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide
PubChem CID19007317
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCNC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyHRXFENQYWZZQMX-UHFFFAOYSA-N
XLogP-0.06
TPSA170.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide (CID 19007317) is 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)C1CCNC1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide?
The InChIKey is HRXFENQYWZZQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide?
2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide has a molecular weight of 430.46 g/mol, XLogP of -0.06, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 19007317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).