(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid

C6H8N2O3 — CID 54538682

IUPAC(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid
SMILESC[C@H](Nc1ccon1)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4(6(9)10)7-5-2-3-11-8-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyZBOQWQPOSJHXHT-BYPYZUCNSA-N
MW156.14 g/mol
LogP0.56
Rot. Bonds3

About (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid

(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid (PubChem CID 54538682) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid
PubChem CID54538682
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid
SMILESC[C@H](Nc1ccon1)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4(6(9)10)7-5-2-3-11-8-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyZBOQWQPOSJHXHT-BYPYZUCNSA-N
XLogP0.56
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid (CID 54538682) is (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid is C[C@H](Nc1ccon1)C(=O)O.
What is the InChIKey of (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid?
The InChIKey is ZBOQWQPOSJHXHT-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4(6(9)10)7-5-2-3-11-8-5/h2-4H,1H3,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid?
(2S)-2-(1,2-oxazol-3-ylamino)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2-oxazol-3-ylamino)propanoic acid is sourced from PubChem (CID 54538682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).