2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

C15H20N2O3 — CID 79851387

IUPAC2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc(N(C)C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-3-6-12(9-11)17(2)14(20)16-15(7-4-8-15)10-13(18)19/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOZMYWHNDLRBJIY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851387) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851387
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc(N(C)C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-5-3-6-12(9-11)17(2)14(20)16-15(7-4-8-15)10-13(18)19/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOZMYWHNDLRBJIY-UHFFFAOYSA-N
XLogP2.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842019
2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217136
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
5-[[methyl-(3-methylphenyl)carbamoyl]amino]hexanoic acid
CID 82849236
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317834

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851387) is 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is Cc1cccc(N(C)C(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is OZMYWHNDLRBJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-3-6-12(9-11)17(2)14(20)16-15(7-4-8-15)10-13(18)19/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).