furan-2-yl (2R)-2-amino-3-sulfanylpropanoate

C7H9NO3S — CID 90119423

IUPACfuran-2-yl (2R)-2-amino-3-sulfanylpropanoate
SMILESN[C@@H](CS)C(=O)Oc1ccco1
InChIInChI=1S/C7H9NO3S/c8-5(4-12)7(9)11-6-2-1-3-10-6/h1-3,5,12H,4,8H2/t5-/m0/s1
InChIKeyPXKQKNTYOOACLF-YFKPBYRVSA-N
MW187.22 g/mol
LogP0.44
Rot. Bonds3

About furan-2-yl (2R)-2-amino-3-sulfanylpropanoate

furan-2-yl (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 90119423) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is furan-2-yl (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Namefuran-2-yl (2R)-2-amino-3-sulfanylpropanoate
PubChem CID90119423
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namefuran-2-yl (2R)-2-amino-3-sulfanylpropanoate
SMILESN[C@@H](CS)C(=O)Oc1ccco1
InChIInChI=1S/C7H9NO3S/c8-5(4-12)7(9)11-6-2-1-3-10-6/h1-3,5,12H,4,8H2/t5-/m0/s1
InChIKeyPXKQKNTYOOACLF-YFKPBYRVSA-N
XLogP0.44
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

furan-2-yl (2S)-2-aminopropanoate
CID 69522243
Furan-2-yl 2-sulfanylacetate
CID 17950911
Furan-2-yl 2-aminoacetate
CID 54423798
2-Amino-3-sulfanylpropanoic acid;furan-2-ol
CID 90119421
(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
CID 90119424
furan-2-yl (2S)-2-amino-4-methylpentanoate
CID 90119434
bis(furan-2-yl) (2S)-2-aminobutanedioate
CID 90119465
2-Amino-4-methylsulfanylbutanoic acid;furan-2-ol
CID 90119469
furan-2-yl (2S)-2-amino-4-methylsulfanylbutanoate
CID 90119470
(2S)-2-amino-4-methylsulfanylbutanoic acid;furan-2-ol
CID 90119471
furan-2-yl (2R)-2,5-diaminopentanoate
CID 90119495
furan-2-yl (2S)-2-amino-3-hydroxypropanoate
CID 90119498

Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of furan-2-yl (2R)-2-amino-3-sulfanylpropanoate (CID 90119423) is furan-2-yl (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for furan-2-yl (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for furan-2-yl (2R)-2-amino-3-sulfanylpropanoate is N[C@@H](CS)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is PXKQKNTYOOACLF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-5(4-12)7(9)11-6-2-1-3-10-6/h1-3,5,12H,4,8H2/t5-/m0/s1.
What are the key properties of furan-2-yl (2R)-2-amino-3-sulfanylpropanoate?
furan-2-yl (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 187.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 90119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).