3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid

C10H18N2O6S — CID 43357770

IUPAC3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-19(17,18)12-4-2-3-7(5-12)9(14)11-8(6-13)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyUZWNDOMRKPWBQJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.78
Rot. Bonds5

About 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid

3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 43357770) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID43357770
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NC(CO)C(=O)O)C1
InChIInChI=1S/C10H18N2O6S/c1-19(17,18)12-4-2-3-7(5-12)9(14)11-8(6-13)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyUZWNDOMRKPWBQJ-UHFFFAOYSA-N
XLogP-1.78
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
(2R)-4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 78975931
4-amino-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43171434
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
methyl (2S)-2-cyclopropyl-2-[[(3S)-1-methylsulfonylpiperidine-3-carbonyl]amino]acetate
CID 95783962

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid (CID 43357770) is 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid is CS(=O)(=O)N1CCCC(C(=O)NC(CO)C(=O)O)C1.
What is the InChIKey of 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is UZWNDOMRKPWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-19(17,18)12-4-2-3-7(5-12)9(14)11-8(6-13)10(15)16/h7-8,13H,2-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of -1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43357770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).