2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid

C15H19F2NO4 — CID 119211861

IUPAC2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C15H19F2NO4/c1-3-9(2)13(14(20)21)18-12(19)8-10-4-6-11(7-5-10)22-15(16)17/h4-7,9,13,15H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJDIOLMLQBWRCLK-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.45
Rot. Bonds8

About 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid

2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid (PubChem CID 119211861) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
PubChem CID119211861
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O
InChIInChI=1S/C15H19F2NO4/c1-3-9(2)13(14(20)21)18-12(19)8-10-4-6-11(7-5-10)22-15(16)17/h4-7,9,13,15H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJDIOLMLQBWRCLK-UHFFFAOYSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-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

(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
(2S,3S)-2-[[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099897
(2S,3S)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099933
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid
CID 176955943
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172231
2-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylpentanoic acid
CID 43239975
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541324
N-[(4S)-4-methyl-2-oxohexan-3-yl]-2-phenylacetamide
CID 142272492

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid (CID 119211861) is 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)Cc1ccc(OC(F)F)cc1)C(=O)O.
What is the InChIKey of 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid?
The InChIKey is JDIOLMLQBWRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-3-9(2)13(14(20)21)18-12(19)8-10-4-6-11(7-5-10)22-15(16)17/h4-7,9,13,15H,3,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid?
2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119211861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).