2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid

C6H8N2O4 — CID 14238404

IUPAC2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)on1
InChIInChI=1S/C6H8N2O4/c1-11-4-2-3(12-8-4)5(7)6(9)10/h2,5H,7H2,1H3,(H,9,10)
InChIKeyOIEAVPASRXQZOC-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.23
Rot. Bonds3

About 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid

2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid (PubChem CID 14238404) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
PubChem CID14238404
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)on1
InChIInChI=1S/C6H8N2O4/c1-11-4-2-3(12-8-4)5(7)6(9)10/h2,5H,7H2,1H3,(H,9,10)
InChIKeyOIEAVPASRXQZOC-UHFFFAOYSA-N
XLogP-0.23
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid (CID 14238404) is 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid is COc1cc(C(N)C(=O)O)on1.
What is the InChIKey of 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid?
The InChIKey is OIEAVPASRXQZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-11-4-2-3(12-8-4)5(7)6(9)10/h2,5H,7H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid?
2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methoxy-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 14238404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).