(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

C14H15ClF3N3O3 — CID 119371778

IUPAC(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O3/c15-9-6-8(14(16,17)18)7-20-12(9)19-4-3-11(22)21-5-1-2-10(21)13(23)24/h6-7,10H,1-5H2,(H,19,20)(H,23,24)/t10-/m1/s1
InChIKeyOGRCREGTFPCHLP-SNVBAGLBSA-N
MW365.74 g/mol
LogP2.63
Rot. Bonds5

About (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371778) has the molecular formula C14H15ClF3N3O3 and a molecular weight of 365.74 g/mol. Its IUPAC name is (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371778
Molecular FormulaC14H15ClF3N3O3
Molecular Weight365.74 g/mol
Exact Mass365.08
IUPAC Name(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O3/c15-9-6-8(14(16,17)18)7-20-12(9)19-4-3-11(22)21-5-1-2-10(21)13(23)24/h6-7,10H,1-5H2,(H,19,20)(H,23,24)/t10-/m1/s1
InChIKeyOGRCREGTFPCHLP-SNVBAGLBSA-N
XLogP2.63
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119649884
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124689294
1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 122149046
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120569847
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124592082
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 120818066
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(3-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119577909
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
CID 119346564
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119387456

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 119371778) is (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OGRCREGTFPCHLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClF3N3O3/c15-9-6-8(14(16,17)18)7-20-12(9)19-4-3-11(22)21-5-1-2-10(21)13(23)24/h6-7,10H,1-5H2,(H,19,20)(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 365.74 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).