2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine

C15H21NO7 — CID 67304625

IUPAC2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(CO[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO.C4H6O6/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;5-1(3(7)8)2(6)4(9)10/h1-5,11-12H,6-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m1./s1
InChIKeyODGFHDKFXHIRGF-RFVHGSKJSA-N
MW327.33 g/mol
LogP-0.56
Rot. Bonds6

About 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine

2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine (PubChem CID 67304625) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine
PubChem CID67304625
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(CO[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H15NO.C4H6O6/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;5-1(3(7)8)2(6)4(9)10/h1-5,11-12H,6-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m1./s1
InChIKeyODGFHDKFXHIRGF-RFVHGSKJSA-N
XLogP-0.56
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 5-0.56
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;(3R)-3-phenylmethoxypyrrolidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine (CID 67304625) is 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine is O=C(O)C(O)C(O)C(=O)O.c1ccc(CO[C@@H]2CCNC2)cc1.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine?
The InChIKey is ODGFHDKFXHIRGF-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15NO.C4H6O6/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;5-1(3(7)8)2(6)4(9)10/h1-5,11-12H,6-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m1./s1.
What are the key properties of 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine?
2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine has a molecular weight of 327.33 g/mol, XLogP of -0.56, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(3R)-3-phenylmethoxypyrrolidine is sourced from PubChem (CID 67304625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).