4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

C10H16N2O4 — CID 3952518

IUPAC4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1CCCN1
InChIInChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)
InChIKeyONPXCLZMBSJLSP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.22
Rot. Bonds2

About 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 3952518) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID3952518
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1CCCN1
InChIInChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)
InChIKeyONPXCLZMBSJLSP-UHFFFAOYSA-N
XLogP-1.22
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 3952518) is 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)C1CCCN1.
What is the InChIKey of 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ONPXCLZMBSJLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16).
What are the key properties of 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3952518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).