(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid

C8H15NO3S — CID 816683

IUPAC(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
SMILESN[C@H](CS[C@H]1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3S/c9-6(8(10)11)5-13-7-3-1-2-4-12-7/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeySFKPVKPTXAQDQQ-RQJHMYQMSA-N
MW205.28 g/mol
LogP0.66
Rot. Bonds4

About (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid

(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid (PubChem CID 816683) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
PubChem CID816683
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
SMILESN[C@H](CS[C@H]1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3S/c9-6(8(10)11)5-13-7-3-1-2-4-12-7/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeySFKPVKPTXAQDQQ-RQJHMYQMSA-N
XLogP0.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(oxan-2-ylsulfanyl)propanoic acid
CID 131631691
methyl (2R)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoate
CID 800032
ethyl 2-amino-3-(oxan-2-ylsulfanyl)propanoate;oxalic acid
CID 16896325
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
2-amino-3-[2-[2-amino-2-(3-hydroxyoxiran-2-yl)ethyl]sulfanylcyclobutyl]sulfanylpropanoic acid
CID 134594490
trimethyl(oxan-2-ylsulfanylmethyl)silane
CID 13498367
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
[(2R)-oxolan-2-yl]sulfanylformic acid
CID 87718897
(2S)-2-amino-5-(1,3-dioxan-2-yl)pentanoic acid
CID 10856576
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid (CID 816683) is (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid is N[C@H](CS[C@H]1CCCCO1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid?
The InChIKey is SFKPVKPTXAQDQQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO3S/c9-6(8(10)11)5-13-7-3-1-2-4-12-7/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid?
(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid has a molecular weight of 205.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 816683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).