methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate

C9H9N3O3 — CID 76850095

IUPACmethyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate
SMILESCOC(=O)C(N)c1nccc2ncoc12
InChIInChI=1S/C9H9N3O3/c1-14-9(13)6(10)7-8-5(2-3-11-7)12-4-15-8/h2-4,6H,10H2,1H3
InChIKeySOBFVAOSSUZZDS-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.40
Rot. Bonds2

About methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate

methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate (PubChem CID 76850095) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate
PubChem CID76850095
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namemethyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate
SMILESCOC(=O)C(N)c1nccc2ncoc12
InChIInChI=1S/C9H9N3O3/c1-14-9(13)6(10)7-8-5(2-3-11-7)12-4-15-8/h2-4,6H,10H2,1H3
InChIKeySOBFVAOSSUZZDS-UHFFFAOYSA-N
XLogP0.40
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
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methyl 2-amino-2-(5-chlorofuran-2-yl)acetate
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methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
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methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
CID 171222945
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
CID 90920727
methyl 2-[1,3-benzoxazol-6-yl(methylamino)methyl]butanoate
CID 116960423
2-amino-2-(5-chloro-1,3-benzoxazol-7-yl)acetic acid
CID 83892632
methyl 2-amino-2-(3-pyridin-4-ylphenyl)acetate
CID 138987849

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate (CID 76850095) is methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate is COC(=O)C(N)c1nccc2ncoc12.
What is the InChIKey of methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate?
The InChIKey is SOBFVAOSSUZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-14-9(13)6(10)7-8-5(2-3-11-7)12-4-15-8/h2-4,6H,10H2,1H3.
What are the key properties of methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate?
methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate has a molecular weight of 207.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-([1,3]oxazolo[5,4-c]pyridin-4-yl)acetate is sourced from PubChem (CID 76850095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).