3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

C22H25NO3 — CID 120701200

IUPAC3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1cc(C)cc(C2(C(=O)NCC(C)(C(=O)O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25NO3/c1-15-11-16(2)13-18(12-15)22(9-10-22)19(24)23-14-21(3,20(25)26)17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyAIVJDSOLSDMKQZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.49
Rot. Bonds6

About 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701200) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701200
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCc1cc(C)cc(C2(C(=O)NCC(C)(C(=O)O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25NO3/c1-15-11-16(2)13-18(12-15)22(9-10-22)19(24)23-14-21(3,20(25)26)17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyAIVJDSOLSDMKQZ-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 56586470
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701031
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700845
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120701200) is 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is Cc1cc(C)cc(C2(C(=O)NCC(C)(C(=O)O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is AIVJDSOLSDMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-11-16(2)13-18(12-15)22(9-10-22)19(24)23-14-21(3,20(25)26)17-7-5-4-6-8-17/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 351.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).