3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

C8H12N2O4 — CID 70820748

IUPAC3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H12N2O4/c11-6-3-5(4-10-6)8(14)9-2-1-7(12)13/h5H,1-4H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyOKRAESONILNDLF-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.29
Rot. Bonds4

About 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 70820748) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID70820748
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C8H12N2O4/c11-6-3-5(4-10-6)8(14)9-2-1-7(12)13/h5H,1-4H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyOKRAESONILNDLF-UHFFFAOYSA-N
XLogP-1.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 70820748) is 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)C1CNC(=O)C1.
What is the InChIKey of 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is OKRAESONILNDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-6-3-5(4-10-6)8(14)9-2-1-7(12)13/h5H,1-4H2,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70820748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).