2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid

C10H20N2O4S — CID 81457674

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCCC1CN(S(=O)(=O)C(C)C(=O)O)CCC1N
InChIInChI=1S/C10H20N2O4S/c1-3-8-6-12(5-4-9(8)11)17(15,16)7(2)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyYOKRYULZBKBJCP-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.15
Rot. Bonds4

About 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid

2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid (PubChem CID 81457674) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid
PubChem CID81457674
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid
SMILESCCC1CN(S(=O)(=O)C(C)C(=O)O)CCC1N
InChIInChI=1S/C10H20N2O4S/c1-3-8-6-12(5-4-9(8)11)17(15,16)7(2)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyYOKRYULZBKBJCP-UHFFFAOYSA-N
XLogP-0.15
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic 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

2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
CID 54947165
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
CID 81456891
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
2-(2-ethylazepan-1-yl)sulfonylpropanoic acid
CID 104689170
tert-butyl 2-(3-ethylpyrrolidin-1-yl)sulfonylpropanoate
CID 167747379
2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 61457983
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
2-(azocan-1-ylsulfonyl)propanoic acid
CID 61454612

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid (CID 81457674) is 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid is CCC1CN(S(=O)(=O)C(C)C(=O)O)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid?
The InChIKey is YOKRYULZBKBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-8-6-12(5-4-9(8)11)17(15,16)7(2)10(13)14/h7-9H,3-6,11H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid?
2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoic acid is sourced from PubChem (CID 81457674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).