(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid

C14H17F2NO4 — CID 103926956

IUPAC(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-14(2,3)10(12(19)20)17-11(18)8-5-4-6-9(7-8)21-13(15)16/h4-7,10,13H,1-3H3,(H,17,18)(H,19,20)/t10-/m0/s1
InChIKeyLUVPOBQFBSFMBL-JTQLQIEISA-N
MW301.29 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid

(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 103926956) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID103926956
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-14(2,3)10(12(19)20)17-11(18)8-5-4-6-9(7-8)21-13(15)16/h4-7,10,13H,1-3H3,(H,17,18)(H,19,20)/t10-/m0/s1
InChIKeyLUVPOBQFBSFMBL-JTQLQIEISA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
2-[(3-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43467790
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 63209855
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid (CID 103926956) is (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)c1cccc(OC(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is LUVPOBQFBSFMBL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-14(2,3)10(12(19)20)17-11(18)8-5-4-6-9(7-8)21-13(15)16/h4-7,10,13H,1-3H3,(H,17,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid?
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 301.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).