2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride

C14H18ClF3N2O4 — CID 119912945

IUPAC2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C14H17F3N2O4.ClH/c1-9(13(21)22)19(2)8-12(20)18-7-10-3-5-11(6-4-10)23-14(15,16)17;/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,21,22);1H
InChIKeyGSOVESZHAYCLIY-UHFFFAOYSA-N
MW370.76 g/mol
LogP2.03
Rot. Bonds7

About 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride (PubChem CID 119912945) has the molecular formula C14H18ClF3N2O4 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride
PubChem CID119912945
Molecular FormulaC14H18ClF3N2O4
Molecular Weight370.76 g/mol
Exact Mass370.09
IUPAC Name2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C14H17F3N2O4.ClH/c1-9(13(21)22)19(2)8-12(20)18-7-10-3-5-11(6-4-10)23-14(15,16)17;/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,21,22);1H
InChIKeyGSOVESZHAYCLIY-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride 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-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-methyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 134162201
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
2-[methyl-[2-[4-(trifluoromethoxy)phenoxy]ethyl]amino]propanoic acid
CID 119913329
(2S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 120510495
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride (CID 119912945) is 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CC(=O)NCc1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride?
The InChIKey is GSOVESZHAYCLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4.ClH/c1-9(13(21)22)19(2)8-12(20)18-7-10-3-5-11(6-4-10)23-14(15,16)17;/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,21,22);1H.
What are the key properties of 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride has a molecular weight of 370.76 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).