2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid

C17H21F2NO3 — CID 119253082

IUPAC2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C1CC1c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C17H21F2NO3/c1-9(2)6-10(17(22)23)8-20-16(21)12-7-11(12)15-13(18)4-3-5-14(15)19/h3-5,9-12H,6-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDJCFPZUQFXOFKU-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.93
Rot. Bonds7

About 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119253082) has the molecular formula C17H21F2NO3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119253082
Molecular FormulaC17H21F2NO3
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C1CC1c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C17H21F2NO3/c1-9(2)6-10(17(22)23)8-20-16(21)12-7-11(12)15-13(18)4-3-5-14(15)19/h3-5,9-12H,6-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDJCFPZUQFXOFKU-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic 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-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188244
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119237113
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700737
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid (CID 119253082) is 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)C1CC1c1c(F)cccc1F)C(=O)O.
What is the InChIKey of 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is DJCFPZUQFXOFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO3/c1-9(2)6-10(17(22)23)8-20-16(21)12-7-11(12)15-13(18)4-3-5-14(15)19/h3-5,9-12H,6-8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).