3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid

C11H20N2O5S — CID 60950734

IUPAC3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCCNC(=O)C1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c1-2-12-11(16)9-3-6-13(7-4-9)19(17,18)8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAQLURTWFNUPGOM-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.36
Rot. Bonds6

About 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid

3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid (PubChem CID 60950734) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
PubChem CID60950734
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
SMILESCCNC(=O)C1CCN(S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O5S/c1-2-12-11(16)9-3-6-13(7-4-9)19(17,18)8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAQLURTWFNUPGOM-UHFFFAOYSA-N
XLogP-0.36
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60951236
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
3-piperazin-1-ylsulfonylpropanoic acid
CID 61405457
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The IUPAC name of 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid (CID 60950734) is 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The canonical SMILES for 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid is CCNC(=O)C1CCN(S(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
The InChIKey is AQLURTWFNUPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-2-12-11(16)9-3-6-13(7-4-9)19(17,18)8-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid?
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid is sourced from PubChem (CID 60950734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).