2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid

C12H13N3O5 — CID 82363351

IUPAC2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCOc1cccc(OC)c1-c1nnc(C(N)C(=O)O)o1
InChIInChI=1S/C12H13N3O5/c1-18-6-4-3-5-7(19-2)8(6)10-14-15-11(20-10)9(13)12(16)17/h3-5,9H,13H2,1-2H3,(H,16,17)
InChIKeyFGBFXUYZJMNWMS-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.84
Rot. Bonds5

About 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid

2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (PubChem CID 82363351) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
PubChem CID82363351
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
SMILESCOc1cccc(OC)c1-c1nnc(C(N)C(=O)O)o1
InChIInChI=1S/C12H13N3O5/c1-18-6-4-3-5-7(19-2)8(6)10-14-15-11(20-10)9(13)12(16)17/h3-5,9H,13H2,1-2H3,(H,16,17)
InChIKeyFGBFXUYZJMNWMS-UHFFFAOYSA-N
XLogP0.84
TPSA120.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363348
1-[5-(2-fluoro-6-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65433692
N-[1-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163060
2-amino-2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363345
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82133202
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
CID 84704990
2-amino-2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363363
2-amino-2-(1-ethyl-4-methoxyindol-3-yl)acetic acid
CID 115073382

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid (CID 82363351) is 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is COc1cccc(OC)c1-c1nnc(C(N)C(=O)O)o1.
What is the InChIKey of 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
The InChIKey is FGBFXUYZJMNWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-18-6-4-3-5-7(19-2)8(6)10-14-15-11(20-10)9(13)12(16)17/h3-5,9H,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid?
2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid has a molecular weight of 279.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid is sourced from PubChem (CID 82363351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).