2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid

C11H15N3O3 — CID 115041986

IUPAC2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
SMILESNC(C(=O)O)c1nccc(C2CCCOC2)n1
InChIInChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-3-8(14-10)7-2-1-5-17-6-7/h3-4,7,9H,1-2,5-6,12H2,(H,15,16)
InChIKeyRTIGZWHYAHBKIE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds3

About 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid

2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid (PubChem CID 115041986) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
PubChem CID115041986
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid
SMILESNC(C(=O)O)c1nccc(C2CCCOC2)n1
InChIInChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-3-8(14-10)7-2-1-5-17-6-7/h3-4,7,9H,1-2,5-6,12H2,(H,15,16)
InChIKeyRTIGZWHYAHBKIE-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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Related Compounds

2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
2-amino-3-(4-cyclohexylpyrimidin-2-yl)propanoic acid
CID 116902314
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
5-(oxan-3-yl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510949
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
CID 116902104
2-(oxan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373443
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106510417

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid (CID 115041986) is 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid is NC(C(=O)O)c1nccc(C2CCCOC2)n1.
What is the InChIKey of 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is RTIGZWHYAHBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-9(11(15)16)10-13-4-3-8(14-10)7-2-1-5-17-6-7/h3-4,7,9H,1-2,5-6,12H2,(H,15,16).
What are the key properties of 2-amino-2-[4-(oxan-3-yl)pyrimidin-2-yl]acetic acid?
2-amino-2-[4-(oxan-3-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-3-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 115041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).