(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid

C10H10BrN3O4S — CID 61142097

IUPAC(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1nnc(-c2ccc(Br)o2)o1)C(=O)O
InChIInChI=1S/C10H10BrN3O4S/c11-7-2-1-6(17-7)9-14-13-8(18-9)4-19-3-5(12)10(15)16/h1-2,5H,3-4,12H2,(H,15,16)/t5-/m0/s1
InChIKeyROTOMSXSIHMHLK-YFKPBYRVSA-N
MW348.18 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid

(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid (PubChem CID 61142097) has the molecular formula C10H10BrN3O4S and a molecular weight of 348.18 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
PubChem CID61142097
Molecular FormulaC10H10BrN3O4S
Molecular Weight348.18 g/mol
Exact Mass346.96
IUPAC Name(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1nnc(-c2ccc(Br)o2)o1)C(=O)O
InChIInChI=1S/C10H10BrN3O4S/c11-7-2-1-6(17-7)9-14-13-8(18-9)4-19-3-5(12)10(15)16/h1-2,5H,3-4,12H2,(H,15,16)/t5-/m0/s1
InChIKeyROTOMSXSIHMHLK-YFKPBYRVSA-N
XLogP1.74
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid with MolForge

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Related Compounds

2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]ethanamine
CID 43249613
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
[5-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630710
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butan-1-ol
CID 66138602
(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
CID 61142516
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152
2-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetic acid
CID 61008533
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112787993
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609
2-amino-3-[(4-bromophenyl)methylsulfanyl]propanoic acid
CID 3289293
methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 16545573

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid (CID 61142097) is (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid is N[C@@H](CSCc1nnc(-c2ccc(Br)o2)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid?
The InChIKey is ROTOMSXSIHMHLK-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10BrN3O4S/c11-7-2-1-6(17-7)9-14-13-8(18-9)4-19-3-5(12)10(15)16/h1-2,5H,3-4,12H2,(H,15,16)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid has a molecular weight of 348.18 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid is sourced from PubChem (CID 61142097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).