2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid

C12H13ClF3N3O3 — CID 119346564

IUPAC2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF3N3O3/c1-19(6-10(21)22)9(20)2-3-17-11-8(13)4-7(5-18-11)12(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,18)(H,21,22)
InChIKeyCXGNGWLFUPDNLG-UHFFFAOYSA-N
MW339.70 g/mol
LogP2.10
Rot. Bonds6

About 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid

2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid (PubChem CID 119346564) has the molecular formula C12H13ClF3N3O3 and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
PubChem CID119346564
Molecular FormulaC12H13ClF3N3O3
Molecular Weight339.70 g/mol
Exact Mass339.06
IUPAC Name2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H13ClF3N3O3/c1-19(6-10(21)22)9(20)2-3-17-11-8(13)4-7(5-18-11)12(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,18)(H,21,22)
InChIKeyCXGNGWLFUPDNLG-UHFFFAOYSA-N
XLogP2.10
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]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

3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-propan-2-ylamino]propanoic acid
CID 120520175
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119531011
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
N-(2-amino-2-ethylbutyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119641211
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 120818066
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
CID 43465671
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid (CID 119346564) is 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid?
The InChIKey is CXGNGWLFUPDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O3/c1-19(6-10(21)22)9(20)2-3-17-11-8(13)4-7(5-18-11)12(14,15)16/h4-5H,2-3,6H2,1H3,(H,17,18)(H,21,22).
What are the key properties of 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid?
2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid has a molecular weight of 339.70 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid is sourced from PubChem (CID 119346564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).