(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid

C10H15NO5 — CID 127030103

IUPAC(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(4-1-5-9(13)14)11-6-2-3-7(11)10(15)16/h7H,1-6H2,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyJPQDCFVLHOKHOW-SSDOTTSWSA-N
MW229.23 g/mol
LogP0.32
Rot. Bonds5

About (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 127030103) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID127030103
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(4-1-5-9(13)14)11-6-2-3-7(11)10(15)16/h7H,1-6H2,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyJPQDCFVLHOKHOW-SSDOTTSWSA-N
XLogP0.32
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid (CID 127030103) is (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid is O=C(O)CCCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JPQDCFVLHOKHOW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(4-1-5-9(13)14)11-6-2-3-7(11)10(15)16/h7H,1-6H2,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-carboxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 127030103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).