bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate

C14H24N2O6 — CID 66701885

IUPACbis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate
SMILESC[C@@H]1CCCN1OC(=O)C(O)C(O)C(=O)ON1CCC[C@H]1C
InChIInChI=1S/C14H24N2O6/c1-9-5-3-7-15(9)21-13(19)11(17)12(18)14(20)22-16-8-4-6-10(16)2/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1
InChIKeyRPOXEHJPEPOROQ-QYNFOATHSA-N
MW316.35 g/mol
LogP-0.41
Rot. Bonds5

About bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate

bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate (PubChem CID 66701885) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate
PubChem CID66701885
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namebis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate
SMILESC[C@@H]1CCCN1OC(=O)C(O)C(O)C(=O)ON1CCC[C@H]1C
InChIInChI=1S/C14H24N2O6/c1-9-5-3-7-15(9)21-13(19)11(17)12(18)14(20)22-16-8-4-6-10(16)2/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1
InChIKeyRPOXEHJPEPOROQ-QYNFOATHSA-N
XLogP-0.41
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate (CID 66701885) is bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate is C[C@@H]1CCCN1OC(=O)C(O)C(O)C(=O)ON1CCC[C@H]1C.
What is the InChIKey of bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate?
The InChIKey is RPOXEHJPEPOROQ-QYNFOATHSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-9-5-3-7-15(9)21-13(19)11(17)12(18)14(20)22-16-8-4-6-10(16)2/h9-12,17-18H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1.
What are the key properties of bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate?
bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate has a molecular weight of 316.35 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 66701885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).