2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid

C8H8N4O3 — CID 83834011

IUPAC2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2ncoc2n1
InChIInChI=1S/C8H8N4O3/c1-12(3-6(13)14)8-9-2-5-7(11-8)15-4-10-5/h2,4H,3H2,1H3,(H,13,14)
InChIKeyNFHOXCBSTWVSMK-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.14
Rot. Bonds3

About 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid

2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid (PubChem CID 83834011) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
PubChem CID83834011
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncc2ncoc2n1
InChIInChI=1S/C8H8N4O3/c1-12(3-6(13)14)8-9-2-5-7(11-8)15-4-10-5/h2,4H,3H2,1H3,(H,13,14)
InChIKeyNFHOXCBSTWVSMK-UHFFFAOYSA-N
XLogP0.14
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sarcosine, N-(2,5-dimethyloxazolo(5,4-d)pyrimidin-7-yl)-
CID 13458834
Oxazolo(5,4-d)pyrimidine
CID 21948617
2,5-Dimethyloxazolo[5,4-d]pyrimidine
CID 68058178
2-[(2,5-Dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 46995258
2-Propoxy-[1,3]oxazolo[5,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 162335201
Oxazolo-pyrimidine hydrochloride
CID 129793859
Oxazolopyrimidinium chloride
CID 129793872
2-Pyrrolidinyloxazolo[5,4-d]pyrimidine
CID 129874843
[1,3]Oxazolo[5,4-d][1,2,4]triazolo[1,5-a]pyrimidine
CID 129877379
Oxazolo[5,4-d][1,2,4]triazolo[4,3-a]pyrimidine
CID 172677895
N,N-diethyl-5-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 13050737
[1,3]Oxazolo[5,4-d]pyrimidin-2-ylcarbamic acid
CID 18933265

Frequently Asked Questions

What is the IUPAC name of 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid (CID 83834011) is 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid is CN(CC(=O)O)c1ncc2ncoc2n1.
What is the InChIKey of 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
The InChIKey is NFHOXCBSTWVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-12(3-6(13)14)8-9-2-5-7(11-8)15-4-10-5/h2,4H,3H2,1H3,(H,13,14).
What are the key properties of 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid?
2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid has a molecular weight of 208.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl([1,3]oxazolo[5,4-d]pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 83834011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).