1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H10F3N3O3 — CID 146136458

IUPAC1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-15-3-6(4-16-8)7(18)17-5-10(1-2-10)9(19)20/h3-4H,1-2,5H2,(H,17,18)(H,19,20)
InChIKeyGHMNLDJJXBXSES-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.09
Rot. Bonds4

About 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 146136458) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID146136458
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-15-3-6(4-16-8)7(18)17-5-10(1-2-10)9(19)20/h3-4H,1-2,5H2,(H,17,18)(H,19,20)
InChIKeyGHMNLDJJXBXSES-UHFFFAOYSA-N
XLogP1.09
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 146136458) is 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is GHMNLDJJXBXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)8-15-3-6(4-16-8)7(18)17-5-10(1-2-10)9(19)20/h3-4H,1-2,5H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).