1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid

C11H20N2O5S — CID 43441535

IUPAC1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c12-10(14)3-7-19(17,18)8-6-13-4-1-9(2-5-13)11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyZLFZOEADCBAAJU-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.93
Rot. Bonds7

About 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid

1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid (PubChem CID 43441535) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
PubChem CID43441535
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
SMILESNC(=O)CCS(=O)(=O)CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c12-10(14)3-7-19(17,18)8-6-13-4-1-9(2-5-13)11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyZLFZOEADCBAAJU-UHFFFAOYSA-N
XLogP-0.93
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
3-[2-(3-aminopyrrolidin-1-yl)ethylsulfonyl]propanamide
CID 62068766
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethylsulfonyl]propanamide
CID 63596397
3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 62370835
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
3-[2-(3-amino-5-methylpiperidin-1-yl)ethylsulfonyl]propanamide
CID 79994515
3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 32746263
3-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]propanoic acid
CID 82892158
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
CID 82182602
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid (CID 43441535) is 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid is NC(=O)CCS(=O)(=O)CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid?
The InChIKey is ZLFZOEADCBAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c12-10(14)3-7-19(17,18)8-6-13-4-1-9(2-5-13)11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16).
What are the key properties of 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid?
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).