(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid

C10H18N2O3 — CID 126509727

IUPAC(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](O)C[C@H]1CN1CCCC1
InChIInChI=1S/C10H18N2O3/c13-9-5-8(12(7-9)10(14)15)6-11-3-1-2-4-11/h8-9,13H,1-7H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyYHXDDRXZKPXSQZ-DTWKUNHWSA-N
MW214.26 g/mol
LogP0.20
Rot. Bonds2

About (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid

(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid (PubChem CID 126509727) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
PubChem CID126509727
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](O)C[C@H]1CN1CCCC1
InChIInChI=1S/C10H18N2O3/c13-9-5-8(12(7-9)10(14)15)6-11-3-1-2-4-11/h8-9,13H,1-7H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyYHXDDRXZKPXSQZ-DTWKUNHWSA-N
XLogP0.20
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid (CID 126509727) is (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1C[C@H](O)C[C@H]1CN1CCCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is YHXDDRXZKPXSQZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-9-5-8(12(7-9)10(14)15)6-11-3-1-2-4-11/h8-9,13H,1-7H2,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid?
(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126509727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).