(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid

C10H17NO5S — CID 107775513

IUPAC(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid
SMILESCC(=O)N[C@@H](CS(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-7(12)11-9(10(13)14)6-17(15)8-2-4-16-5-3-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t9-,17?/m0/s1
InChIKeyWENYWAPIDYYBNM-WFVOFKTRSA-N
MW263.31 g/mol
LogP-0.50
Rot. Bonds5

About (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid

(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid (PubChem CID 107775513) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid
PubChem CID107775513
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid
SMILESCC(=O)N[C@@H](CS(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5S/c1-7(12)11-9(10(13)14)6-17(15)8-2-4-16-5-3-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t9-,17?/m0/s1
InChIKeyWENYWAPIDYYBNM-WFVOFKTRSA-N
XLogP-0.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-3-(oxan-3-ylsulfinyl)propanoic acid
CID 107775574
2-acetamido-3-(3-methylcyclohexyl)sulfinylpropanoic acid
CID 64583533
(2R)-2-acetamido-3-(oxolan-3-ylmethylsulfinyl)propanoic acid
CID 107775519
(2R)-2-acetamido-3-(3-methylsulfonylcyclohexyl)sulfinylpropanoic acid
CID 107775675
2-acetamido-3-[1-(oxan-4-yl)ethylamino]propanoic acid
CID 114115133
2-acetamido-3-(difluoromethylsulfinyl)propanoic acid
CID 107768785
N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
CID 64655048
(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 107775688
1-(oxan-4-ylsulfinyl)butan-2-amine
CID 64656469
2-acetamido-3-butan-2-ylsulfinylpropanoic acid
CID 64583711
2-acetamido-3-(2-ethylbutylsulfinyl)propanoic acid
CID 107768616
2-acetamido-3-(2-amino-2-oxoethyl)sulfinylpropanoic acid
CID 107768598

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid (CID 107775513) is (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid is CC(=O)N[C@@H](CS(=O)C1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid?
The InChIKey is WENYWAPIDYYBNM-WFVOFKTRSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-7(12)11-9(10(13)14)6-17(15)8-2-4-16-5-3-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t9-,17?/m0/s1.
What are the key properties of (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid?
(2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(oxan-4-ylsulfinyl)propanoic acid is sourced from PubChem (CID 107775513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).