2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid

C19H18F3NO4 — CID 125119372

IUPAC2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C19H18F3NO4/c1-10-13(18(25)26)7-11(27-10)9-23(2)17(24)15-8-14(15)12-5-3-4-6-16(12)19(20,21)22/h3-7,14-15H,8-9H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
InChIKeyKIELBIURGFQKLA-HUUCEWRRSA-N
MW381.35 g/mol
LogP4.07
Rot. Bonds5

About 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 125119372) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID125119372
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C19H18F3NO4/c1-10-13(18(25)26)7-11(27-10)9-23(2)17(24)15-8-14(15)12-5-3-4-6-16(12)19(20,21)22/h3-7,14-15H,8-9H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
InChIKeyKIELBIURGFQKLA-HUUCEWRRSA-N
XLogP4.07
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic 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-methyl-5-[[methyl-[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 125132026
2-methyl-5-[[methyl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 119221844
5-[[[(1R,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125132118
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 75495592
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832748
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
2-(2-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55550792
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
2-methyl-5-[[methyl-[(4R)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125152313
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid (CID 125119372) is 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is KIELBIURGFQKLA-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-10-13(18(25)26)7-11(27-10)9-23(2)17(24)15-8-14(15)12-5-3-4-6-16(12)19(20,21)22/h3-7,14-15H,8-9H2,1-2H3,(H,25,26)/t14-,15-/m1/s1.
What are the key properties of 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 381.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 125119372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).