4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid

C11H18N2O4 — CID 54876368

IUPAC4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESNC(=O)CC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c12-9(14)7-8-3-5-13(6-4-8)10(15)1-2-11(16)17/h8H,1-7H2,(H2,12,14)(H,16,17)
InChIKeyDBKJIOJHTNGGMH-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.03
Rot. Bonds5

About 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 54876368) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID54876368
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
SMILESNC(=O)CC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c12-9(14)7-8-3-5-13(6-4-8)10(15)1-2-11(16)17/h8H,1-7H2,(H2,12,14)(H,16,17)
InChIKeyDBKJIOJHTNGGMH-UHFFFAOYSA-N
XLogP-0.03
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565
4-[4-[(2S)-2-amino-2-carboxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 177194425
4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
CID 87582095
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129393375
2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782399
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid (CID 54876368) is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid is NC(=O)CC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is DBKJIOJHTNGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-9(14)7-8-3-5-13(6-4-8)10(15)1-2-11(16)17/h8H,1-7H2,(H2,12,14)(H,16,17).
What are the key properties of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 54876368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).