(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid

C10H17NO6S — CID 107774971

IUPAC(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid
SMILESCC(=O)N[C@@H](CS(=O)(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C10H17NO6S/c1-7(12)11-9(10(13)14)6-18(15,16)8-3-2-4-17-5-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t8?,9-/m0/s1
InChIKeyBGROXHHGFBUEGZ-GKAPJAKFSA-N
MW279.31 g/mol
LogP-0.83
Rot. Bonds5

About (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid

(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid (PubChem CID 107774971) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid
PubChem CID107774971
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid
SMILESCC(=O)N[C@@H](CS(=O)(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C10H17NO6S/c1-7(12)11-9(10(13)14)6-18(15,16)8-3-2-4-17-5-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t8?,9-/m0/s1
InChIKeyBGROXHHGFBUEGZ-GKAPJAKFSA-N
XLogP-0.83
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-acetamido-3-(oxan-3-ylsulfinyl)propanoic acid
CID 107775574
2-(oxan-3-ylsulfonyl)butanoic acid
CID 107134773
2-acetamido-3-(cyclobutylmethylsulfonyl)propanoic acid
CID 107768084
sodium;(2S)-2-acetamido-3-sulfopropanoic acid;hydride
CID 173222735
(2R)-2-acetamido-3-butan-2-ylsulfonylpropanoic acid
CID 107774907
(2R)-2-acetamido-3-(oxolan-3-ylmethylsulfinyl)propanoic acid
CID 107775519
2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
CID 114115133
N-propan-2-yloxane-3-sulfonamide
CID 130684869
(2R)-2-acetamido-3-(trifluoromethylsulfonyl)propanoic acid
CID 107774950
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
N-methyloxane-3-sulfonamide
CID 69039393

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid (CID 107774971) is (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid is CC(=O)N[C@@H](CS(=O)(=O)C1CCCOC1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid?
The InChIKey is BGROXHHGFBUEGZ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-7(12)11-9(10(13)14)6-18(15,16)8-3-2-4-17-5-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid?
(2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid has a molecular weight of 279.31 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(oxan-3-ylsulfonyl)propanoic acid is sourced from PubChem (CID 107774971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).