2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

C15H20N2O3 — CID 79851463

IUPAC2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17(2)14(20)16-15(8-3-9-15)10-13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCYLACFPWGOEUJM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851463) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851463
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17(2)14(20)16-15(8-3-9-15)10-13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCYLACFPWGOEUJM-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-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842019
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058445
1-methyl-1-(4-methylphenyl)-3-(2-oxoethyl)urea
CID 143510984
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851463) is 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is Cc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is CYLACFPWGOEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17(2)14(20)16-15(8-3-9-15)10-13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[methyl-(4-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-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).