2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C7H6F3N3O2 — CID 82392538

IUPAC2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESNC(C(=O)O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)6-12-1-3(2-13-6)4(11)5(14)15/h1-2,4H,11H2,(H,14,15)
InChIKeyLGNJZSIIAFOXKZ-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 82392538) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID82392538
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESNC(C(=O)O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)6-12-1-3(2-13-6)4(11)5(14)15/h1-2,4H,11H2,(H,14,15)
InChIKeyLGNJZSIIAFOXKZ-UHFFFAOYSA-N
XLogP0.58
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84806528
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734
(2S)-2-amino-2-(6-phenyl-3-pyridinyl)acetic acid
CID 86314474
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
1-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 141463807
N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 155435154
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
CID 24730356
methyl 3,4-dihydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoate
CID 171895954

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 82392538) is 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is NC(C(=O)O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is LGNJZSIIAFOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)6-12-1-3(2-13-6)4(11)5(14)15/h1-2,4H,11H2,(H,14,15).
What are the key properties of 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 221.14 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82392538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).