(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid

C5H7N3O3 — CID 96849104

IUPAC(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1ncon1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
InChIKeyAJJVTENVLDKYQM-VKHMYHEASA-N
MW157.13 g/mol
LogP-0.98
Rot. Bonds3

About (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid

(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid (PubChem CID 96849104) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
PubChem CID96849104
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1ncon1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
InChIKeyAJJVTENVLDKYQM-VKHMYHEASA-N
XLogP-0.98
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid (CID 96849104) is (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid is N[C@@H](Cc1ncon1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The InChIKey is AJJVTENVLDKYQM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid is sourced from PubChem (CID 96849104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).