4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

C13H22N2O3 — CID 3559936

IUPAC4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-14-8-6-11(7-9-14)15(10-2-3-10)12(16)4-5-13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyRHZUEXAPVFFFNM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds5

About 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 3559936) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID3559936
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O3/c1-14-8-6-11(7-9-14)15(10-2-3-10)12(16)4-5-13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyRHZUEXAPVFFFNM-UHFFFAOYSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxo-4-(piperidin-1-yl)butanoic acid
CID 792860
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CID 974695
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906
4-[(1-Acetylpiperidin-4-yl)-cyclopropylamino]-4-oxobutanoic acid
CID 4133220
4-[Cyclopropyl-(1-propylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 4228156
4-[(2R,6S)-2,6-Dimethylpiperidin-1-YL]-4-oxobutanoic acid
CID 822867
4-Oxo-4-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 2050715
4-(4-sec-Butylpiperazin-1-yl)-4-oxobutanoic acid
CID 2757331
4-(4-Cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-[Methyl(1-methylpiperidin-4-YL)amino]-4-oxobutanoic acid
CID 16795916
4-Amino-I(3)-oxo-1-piperidinebutanoic acid
CID 17609617
3-(4-Piperidinopiperidinocarbonyl)propionic acid
CID 19358571

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 3559936) is 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is CN1CCC(N(C(=O)CCC(=O)O)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is RHZUEXAPVFFFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-8-6-11(7-9-14)15(10-2-3-10)12(16)4-5-13(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 3559936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).