(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid

C8H16N2O6S — CID 80756409

IUPAC(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-10(3-4-17(2,15)16)8(14)9-6(5-11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)/t6-/m1/s1
InChIKeyHBNLLKGUJGRBTQ-ZCFIWIBFSA-N
MW268.29 g/mol
LogP-1.88
Rot. Bonds6

About (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid (PubChem CID 80756409) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
PubChem CID80756409
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
SMILESCN(CCS(C)(=O)=O)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-10(3-4-17(2,15)16)8(14)9-6(5-11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)/t6-/m1/s1
InChIKeyHBNLLKGUJGRBTQ-ZCFIWIBFSA-N
XLogP-1.88
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79864248
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61206494
(2R)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]hexanedioic acid
CID 107840451
2-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 107201639
(2S)-3-methyl-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864611
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
(2R)-3-(1H-imidazol-5-yl)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 104895272
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 80757694
(2R)-2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80757079
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
2-[bis(2-hydroxyethyl)carbamoylamino]-4-methylsulfonylbutanoic acid
CID 61233958
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid (CID 80756409) is (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid is CN(CCS(C)(=O)=O)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is HBNLLKGUJGRBTQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-10(3-4-17(2,15)16)8(14)9-6(5-11)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of -1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 80756409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).