2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid

C24H30FNO4 — CID 138699732

IUPAC2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F)C(=O)O
InChIInChI=1S/C24H30FNO4/c1-23(2,22(28)29)26-21(27)18-8-17(15-3-4-15)20(9-19(18)25)30-12-24-10-13-5-14(11-24)7-16(24)6-13/h8-9,13-16H,3-7,10-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyNOGQVEBTMSKFOL-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.50
Rot. Bonds7

About 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid

2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 138699732) has the molecular formula C24H30FNO4 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid
PubChem CID138699732
Molecular FormulaC24H30FNO4
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F)C(=O)O
InChIInChI=1S/C24H30FNO4/c1-23(2,22(28)29)26-21(27)18-8-17(15-3-4-15)20(9-19(18)25)30-12-24-10-13-5-14(11-24)7-16(24)6-13/h8-9,13-16H,3-7,10-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyNOGQVEBTMSKFOL-UHFFFAOYSA-N
XLogP4.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

(2S)-2-[[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]amino]propanoic acid
CID 118648929
(4R)-3-[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
CID 138699646
4-(1-adamantylmethoxy)-5-cyclopropyl-N-(1-ethylcyclopropyl)-2-fluorobenzamide
CID 160780008
methyl 2-[[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methoxypropanoate
CID 129315065
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(6,6-difluoro-3-tricyclo[3.3.1.03,7]nonanyl)methoxy]-2-fluorobenzamide
CID 149258229
2-[[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]amino]-3-cyclopropylpropanoic acid
CID 135328508
(2S,4R,5R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 130192392
4-[5-cyclopropyl-2-fluoro-4-(8-tricyclo[4.3.1.03,8]decanylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 138699940
methyl (2R)-4-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-2-methyl-4-oxobutanoate
CID 153062285
4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluoro-N-(3-methoxyazetidin-1-yl)sulfonylbenzamide
CID 90016435
(2S)-1-[2,5-difluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 138699881
methyl 2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2,3-dihydro-1H-pyrrole-5-carboxylate
CID 118648878

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid (CID 138699732) is 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F)C(=O)O.
What is the InChIKey of 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is NOGQVEBTMSKFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO4/c1-23(2,22(28)29)26-21(27)18-8-17(15-3-4-15)20(9-19(18)25)30-12-24-10-13-5-14(11-24)7-16(24)6-13/h8-9,13-16H,3-7,10-12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid?
2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 415.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-2-fluoro-4-(3-tricyclo[3.3.1.03,7]nonanylmethoxy)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 138699732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).