(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid

C10H17NO4 — CID 67774938

IUPAC(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C1CCOCC1
InChIInChI=1S/C10H17NO4/c12-8-5-9(10(13)14)11(6-8)7-1-3-15-4-2-7/h7-9,12H,1-6H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyIXOOECPQXNVDSX-BDAKNGLRSA-N
MW215.25 g/mol
LogP-0.31
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 67774938) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID67774938
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C1CCOCC1
InChIInChI=1S/C10H17NO4/c12-8-5-9(10(13)14)11(6-8)7-1-3-15-4-2-7/h7-9,12H,1-6H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyIXOOECPQXNVDSX-BDAKNGLRSA-N
XLogP-0.31
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid (CID 67774938) is (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C1CCOCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IXOOECPQXNVDSX-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO4/c12-8-5-9(10(13)14)11(6-8)7-1-3-15-4-2-7/h7-9,12H,1-6H2,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67774938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).