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

C16H19F2NO3 — CID 119188244

IUPAC2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CC1c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C16H19F2NO3/c1-8(2)6-13(16(21)22)19-15(20)10-7-9(10)14-11(17)4-3-5-12(14)18/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyINRVRMJPUFZPBL-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.68
Rot. Bonds6

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

2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid (PubChem CID 119188244) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
PubChem CID119188244
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CC1c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C16H19F2NO3/c1-8(2)6-13(16(21)22)19-15(20)10-7-9(10)14-11(17)4-3-5-12(14)18/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyINRVRMJPUFZPBL-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253082
N-(1-amino-4-methylpentan-2-yl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119586711
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188628
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119188260
(2S)-2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid
CID 119362074
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
(2S)-2-[[2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695218
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
trans-(1R,2R)-2-(2,6-difluorophenyl)-N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
CID 124840506

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid (CID 119188244) is 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C1CC1c1c(F)cccc1F)C(=O)O.
What is the InChIKey of 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
The InChIKey is INRVRMJPUFZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-8(2)6-13(16(21)22)19-15(20)10-7-9(10)14-11(17)4-3-5-12(14)18/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid?
2-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-4-methylpentanoic acid has a molecular weight of 311.33 g/mol, XLogP of 2.68, 6 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]-4-methylpentanoic acid is sourced from PubChem (CID 119188244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).