3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid

C10H15NO5 — CID 13306702

IUPAC3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C10H15NO5/c12-7-1-4-10(11-7,5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyDZNFNGREPWGQOL-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.36
Rot. Bonds6

About 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid

3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid (PubChem CID 13306702) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid
PubChem CID13306702
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)CCC(=O)N1
InChIInChI=1S/C10H15NO5/c12-7-1-4-10(11-7,5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyDZNFNGREPWGQOL-UHFFFAOYSA-N
XLogP0.36
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid (CID 13306702) is 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid is O=C(O)CCC1(CCC(=O)O)CCC(=O)N1.
What is the InChIKey of 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid?
The InChIKey is DZNFNGREPWGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-7-1-4-10(11-7,5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid?
3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid has a molecular weight of 229.23 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carboxyethyl)-5-oxopyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 13306702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).