2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid

C16H22N2O3 — CID 79842490

IUPAC2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCCc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-5-7-13(8-6-12)18(2)15(21)17-16(9-4-10-16)11-14(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyNYZIMBFRVAGCAZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842490) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842490
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCCc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-5-7-13(8-6-12)18(2)15(21)17-16(9-4-10-16)11-14(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyNYZIMBFRVAGCAZ-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
2-[1-[[ethyl(phenyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700831
2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
CID 79854733
1-(4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-methylurea
CID 166317834
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842224
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid (CID 79842490) is 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid is CCc1ccc(N(C)C(=O)NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is NYZIMBFRVAGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-5-7-13(8-6-12)18(2)15(21)17-16(9-4-10-16)11-14(19)20/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).