(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 63843186

IUPAC(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCNCC1
InChIInChI=1S/C11H18N2O4/c14-8-5-9(11(16)17)13(6-8)10(15)7-1-3-12-4-2-7/h7-9,12,14H,1-6H2,(H,16,17)/t8-,9+/m1/s1
InChIKeyLALDJOQBPPYOPQ-BDAKNGLRSA-N
MW242.27 g/mol
LogP-0.97
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63843186) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63843186
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCNCC1
InChIInChI=1S/C11H18N2O4/c14-8-5-9(11(16)17)13(6-8)10(15)7-1-3-12-4-2-7/h7-9,12,14H,1-6H2,(H,16,17)/t8-,9+/m1/s1
InChIKeyLALDJOQBPPYOPQ-BDAKNGLRSA-N
XLogP-0.97
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 63843186) is (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCNCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LALDJOQBPPYOPQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-8-5-9(11(16)17)13(6-8)10(15)7-1-3-12-4-2-7/h7-9,12,14H,1-6H2,(H,16,17)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).