2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid

C11H20N2O6S — CID 43357542

IUPAC2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C11H20N2O6S/c1-2-20(18,19)13-5-3-8(4-6-13)10(15)12-9(7-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyIZLCZGMWWGBNIW-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.39
Rot. Bonds6

About 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid

2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357542) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID43357542
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(CO)C(=O)O)CC1
InChIInChI=1S/C11H20N2O6S/c1-2-20(18,19)13-5-3-8(4-6-13)10(15)12-9(7-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17)
InChIKeyIZLCZGMWWGBNIW-UHFFFAOYSA-N
XLogP-1.39
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702923
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
(2R)-2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-4-hydroxybutanoic acid
CID 107823552
1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide
CID 51090729
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid (CID 43357542) is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid is CCS(=O)(=O)N1CCC(C(=O)NC(CO)C(=O)O)CC1.
What is the InChIKey of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is IZLCZGMWWGBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-2-20(18,19)13-5-3-8(4-6-13)10(15)12-9(7-14)11(16)17/h8-9,14H,2-7H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 308.36 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).