2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid

C17H23NO3 — CID 62818648

IUPAC2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESCc1cccc(C2(C(=O)N(C)C(C)(C)C(=O)O)CCC2)c1
InChIInChI=1S/C17H23NO3/c1-12-7-5-8-13(11-12)17(9-6-10-17)14(19)18(4)16(2,3)15(20)21/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21)
InChIKeyYUSNRZSAFLELFF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.74
Rot. Bonds4

About 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid

2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid (PubChem CID 62818648) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid
PubChem CID62818648
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid
SMILESCc1cccc(C2(C(=O)N(C)C(C)(C)C(=O)O)CCC2)c1
InChIInChI=1S/C17H23NO3/c1-12-7-5-8-13(11-12)17(9-6-10-17)14(19)18(4)16(2,3)15(20)21/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21)
InChIKeyYUSNRZSAFLELFF-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
2-[[1-(3-methylphenyl)cyclobutanecarbonyl]-propylamino]acetic acid
CID 61012880
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353598
1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 112812988
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid (CID 62818648) is 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid is Cc1cccc(C2(C(=O)N(C)C(C)(C)C(=O)O)CCC2)c1.
What is the InChIKey of 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid?
The InChIKey is YUSNRZSAFLELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-7-5-8-13(11-12)17(9-6-10-17)14(19)18(4)16(2,3)15(20)21/h5,7-8,11H,6,9-10H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid?
2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 62818648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).