(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol

C7H11NO4S — CID 90119424

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
SMILESN[C@@H](CS)C(=O)O.Oc1ccco1
InChIInChI=1S/C4H4O2.C3H7NO2S/c5-4-2-1-3-6-4;4-2(1-7)3(5)6/h1-3,5H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyPZYFSZKOPLIOMS-WNQIDUERSA-N
MW205.23 g/mol
LogP0.31
Rot. Bonds2

About (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol

(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol (PubChem CID 90119424) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
PubChem CID90119424
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
SMILESN[C@@H](CS)C(=O)O.Oc1ccco1
InChIInChI=1S/C4H4O2.C3H7NO2S/c5-4-2-1-3-6-4;4-2(1-7)3(5)6/h1-3,5H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyPZYFSZKOPLIOMS-WNQIDUERSA-N
XLogP0.31
TPSA96.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentanedioic acid;furan-2-ol
CID 90119871
(2S)-2,6-diaminohexanoic acid;furan-2-ol
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(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol (CID 90119424) is (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol is N[C@@H](CS)C(=O)O.Oc1ccco1.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol?
The InChIKey is PZYFSZKOPLIOMS-WNQIDUERSA-N. The full InChI is InChI=1S/C4H4O2.C3H7NO2S/c5-4-2-1-3-6-4;4-2(1-7)3(5)6/h1-3,5H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol?
(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol has a molecular weight of 205.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol is sourced from PubChem (CID 90119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).