(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid

C14H16F3NO4 — CID 119364700

IUPAC(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(F)cc1OC(F)F)C(=O)O
InChIInChI=1S/C14H16F3NO4/c1-7(2)5-10(13(20)21)18-12(19)9-4-3-8(15)6-11(9)22-14(16)17/h3-4,6-7,10,14H,5H2,1-2H3,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyACLWEQNFKWSVQT-SNVBAGLBSA-N
MW319.28 g/mol
LogP2.66
Rot. Bonds7

About (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid (PubChem CID 119364700) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
PubChem CID119364700
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Name(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc(F)cc1OC(F)F)C(=O)O
InChIInChI=1S/C14H16F3NO4/c1-7(2)5-10(13(20)21)18-12(19)9-4-3-8(15)6-11(9)22-14(16)17/h3-4,6-7,10,14H,5H2,1-2H3,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyACLWEQNFKWSVQT-SNVBAGLBSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361873
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 103804241
(2R)-2-[[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]amino]-4-methylpentanoic acid
CID 119364709
(2S)-2-[[2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695489
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119188586
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119665751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid (CID 119364700) is (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc(F)cc1OC(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is ACLWEQNFKWSVQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F3NO4/c1-7(2)5-10(13(20)21)18-12(19)9-4-3-8(15)6-11(9)22-14(16)17/h3-4,6-7,10,14H,5H2,1-2H3,(H,18,19)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 319.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).