2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide

C22H26N2O7 — CID 69077362

IUPAC2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(20-13-7-8-14-20,15-9-3-1-4-10-15)16-11-5-2-6-12-16;5-1(3(7)8)2(6)4(9)10/h1-6,9-12H,7-8,13-14H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyMZSIJMRIRHWBIP-UHFFFAOYSA-N
MW430.46 g/mol
LogP0.39
Rot. Bonds7

About 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide

2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 69077362) 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-1-ylacetamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide
PubChem CID69077362
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(20-13-7-8-14-20,15-9-3-1-4-10-15)16-11-5-2-6-12-16;5-1(3(7)8)2(6)4(9)10/h1-6,9-12H,7-8,13-14H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyMZSIJMRIRHWBIP-UHFFFAOYSA-N
XLogP0.39
TPSA161.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide (CID 69077362) is 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)N1CCCC1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is MZSIJMRIRHWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(20-13-7-8-14-20,15-9-3-1-4-10-15)16-11-5-2-6-12-16;5-1(3(7)8)2(6)4(9)10/h1-6,9-12H,7-8,13-14H2,(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-1-ylacetamide?
2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 430.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 5 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-1-ylacetamide is sourced from PubChem (CID 69077362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).