3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid

C15H18F2N2O5 — CID 122111558

IUPAC3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C15H18F2N2O5/c1-9(14(22)23)8-19(2)12(20)7-18-13(21)10-5-3-4-6-11(10)24-15(16)17/h3-6,9,15H,7-8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyIWTFWTNUCOOYAV-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.20
Rot. Bonds8

About 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 122111558) has the molecular formula C15H18F2N2O5 and a molecular weight of 344.31 g/mol. Its IUPAC name is 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID122111558
Molecular FormulaC15H18F2N2O5
Molecular Weight344.31 g/mol
Exact Mass344.12
IUPAC Name3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C15H18F2N2O5/c1-9(14(22)23)8-19(2)12(20)7-18-13(21)10-5-3-4-6-11(10)24-15(16)17/h3-6,9,15H,7-8H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyIWTFWTNUCOOYAV-UHFFFAOYSA-N
XLogP1.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic 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-[[2-[(2-ethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120524322
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-2-(difluoromethoxy)benzamide
CID 112768433
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid (CID 122111558) is 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)CNC(=O)c1ccccc1OC(F)F)C(=O)O.
What is the InChIKey of 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is IWTFWTNUCOOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O5/c1-9(14(22)23)8-19(2)12(20)7-18-13(21)10-5-3-4-6-11(10)24-15(16)17/h3-6,9,15H,7-8H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 344.31 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122111558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).