2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid

C10H12N4O3 — CID 13458834

IUPAC2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid
SMILESCc1nc(N(C)CC(=O)O)c2nc(C)oc2n1
InChIInChI=1S/C10H12N4O3/c1-5-11-9(14(3)4-7(15)16)8-10(12-5)17-6(2)13-8/h4H2,1-3H3,(H,15,16)
InChIKeyPTIJJLMAROUVCT-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.76
Rot. Bonds3

About 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid

2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid (PubChem CID 13458834) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid
PubChem CID13458834
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid
SMILESCc1nc(N(C)CC(=O)O)c2nc(C)oc2n1
InChIInChI=1S/C10H12N4O3/c1-5-11-9(14(3)4-7(15)16)8-10(12-5)17-6(2)13-8/h4H2,1-3H3,(H,15,16)
InChIKeyPTIJJLMAROUVCT-UHFFFAOYSA-N
XLogP0.76
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid (CID 13458834) is 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid is Cc1nc(N(C)CC(=O)O)c2nc(C)oc2n1.
What is the InChIKey of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid?
The InChIKey is PTIJJLMAROUVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-11-9(14(3)4-7(15)16)8-10(12-5)17-6(2)13-8/h4H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid?
2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid has a molecular weight of 236.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-methylamino]acetic acid is sourced from PubChem (CID 13458834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).