5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid

C11H17NO8 — CID 102346380

IUPAC5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H17NO8/c13-6-3-20-11(19,9(16)8(6)15)4-12-5(10(17)18)1-2-7(12)14/h5-6,8-9,13,15-16,19H,1-4H2,(H,17,18)/t5?,6-,8-,9+,11-/m1/s1
InChIKeyCCUCOGUWYNNRMU-OLFKUDMTSA-N
MW291.26 g/mol
LogP-3.14
Rot. Bonds3

About 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid

5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 102346380) has the molecular formula C11H17NO8 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID102346380
Molecular FormulaC11H17NO8
Molecular Weight291.26 g/mol
Exact Mass291.10
IUPAC Name5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H17NO8/c13-6-3-20-11(19,9(16)8(6)15)4-12-5(10(17)18)1-2-7(12)14/h5-6,8-9,13,15-16,19H,1-4H2,(H,17,18)/t5?,6-,8-,9+,11-/m1/s1
InChIKeyCCUCOGUWYNNRMU-OLFKUDMTSA-N
XLogP-3.14
TPSA147.76 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-3.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 102346380) is 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CCUCOGUWYNNRMU-OLFKUDMTSA-N. The full InChI is InChI=1S/C11H17NO8/c13-6-3-20-11(19,9(16)8(6)15)4-12-5(10(17)18)1-2-7(12)14/h5-6,8-9,13,15-16,19H,1-4H2,(H,17,18)/t5?,6-,8-,9+,11-/m1/s1.
What are the key properties of 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid?
5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.26 g/mol, XLogP of -3.14, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102346380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).