2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid

C11H15N3O3 — CID 115041987

IUPAC2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
SMILESNC(C(=O)O)c1nccc(C2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-1-8(14-10)7-2-5-17-6-3-7/h1,4,7,9H,2-3,5-6,12H2,(H,15,16)
InChIKeyGEFJRDUVRMOIFC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds3

About 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid

2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid (PubChem CID 115041987) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
PubChem CID115041987
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
SMILESNC(C(=O)O)c1nccc(C2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-1-8(14-10)7-2-5-17-6-3-7/h1,4,7,9H,2-3,5-6,12H2,(H,15,16)
InChIKeyGEFJRDUVRMOIFC-UHFFFAOYSA-N
XLogP0.46
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid (CID 115041987) is 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid is NC(C(=O)O)c1nccc(C2CCOCC2)n1.
What is the InChIKey of 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is GEFJRDUVRMOIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-1-8(14-10)7-2-5-17-6-3-7/h1,4,7,9H,2-3,5-6,12H2,(H,15,16).
What are the key properties of 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 115041987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).