4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid

C12H20N2O4 — CID 139516844

IUPAC4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C12H20N2O4/c15-10(13-7-3-5-12(17)18)6-9-14-8-2-1-4-11(14)16/h1-9H2,(H,13,15)(H,17,18)
InChIKeyPLNPUXBQBAXLOI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds7

About 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid

4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid (PubChem CID 139516844) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
PubChem CID139516844
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCN1CCCCC1=O
InChIInChI=1S/C12H20N2O4/c15-10(13-7-3-5-12(17)18)6-9-14-8-2-1-4-11(14)16/h1-9H2,(H,13,15)(H,17,18)
InChIKeyPLNPUXBQBAXLOI-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111471868
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid?
The IUPAC name of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid (CID 139516844) is 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid?
The canonical SMILES for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid is O=C(O)CCCNC(=O)CCN1CCCCC1=O.
What is the InChIKey of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid?
The InChIKey is PLNPUXBQBAXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(13-7-3-5-12(17)18)6-9-14-8-2-1-4-11(14)16/h1-9H2,(H,13,15)(H,17,18).
What are the key properties of 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid?
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 139516844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).