(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid

C6H9N3O3S — CID 61141696

IUPAC(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid
SMILESN[C@@H](CSCc1ncon1)C(=O)O
InChIInChI=1S/C6H9N3O3S/c7-4(6(10)11)1-13-2-5-8-3-12-9-5/h3-4H,1-2,7H2,(H,10,11)/t4-/m0/s1
InChIKeyNLBBXXYWOOOAKN-BYPYZUCNSA-N
MW203.22 g/mol
LogP-0.29
Rot. Bonds5

About (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid

(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid (PubChem CID 61141696) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid
PubChem CID61141696
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid
SMILESN[C@@H](CSCc1ncon1)C(=O)O
InChIInChI=1S/C6H9N3O3S/c7-4(6(10)11)1-13-2-5-8-3-12-9-5/h3-4H,1-2,7H2,(H,10,11)/t4-/m0/s1
InChIKeyNLBBXXYWOOOAKN-BYPYZUCNSA-N
XLogP-0.29
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfanyl)butanoic acid
CID 60929998
2-amino-3-(1,2-oxazol-4-ylmethylsulfanyl)propanoic acid
CID 60869400
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773244
(2S)-2-amino-3-(1,3-thiazol-5-ylmethylsulfanyl)propanoic acid
CID 107773520
(2R)-2-amino-3-[(2-methyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107043232
(2S)-2-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 107773582
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
(2S)-2-amino-3-(quinolin-3-ylmethylsulfanyl)propanoic acid
CID 114203513
(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
CID 61142516
2-amino-3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]propanoic acid
CID 43386022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid (CID 61141696) is (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid is N[C@@H](CSCc1ncon1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid?
The InChIKey is NLBBXXYWOOOAKN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3O3S/c7-4(6(10)11)1-13-2-5-8-3-12-9-5/h3-4H,1-2,7H2,(H,10,11)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid?
(2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid has a molecular weight of 203.22 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 61141696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).