2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid

C15H20N2O3 — CID 79845476

IUPAC2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCc1ccc(C)c(NC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-11(2)12(8-10)16-14(20)17-15(6-3-7-15)9-13(18)19/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyZRGDAVJSXLQMLZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 79845476) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID79845476
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCc1ccc(C)c(NC(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-11(2)12(8-10)16-14(20)17-15(6-3-7-15)9-13(18)19/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyZRGDAVJSXLQMLZ-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 82801440
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
CID 136550006
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid (CID 79845476) is 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid is Cc1ccc(C)c(NC(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is ZRGDAVJSXLQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-5-11(2)12(8-10)16-14(20)17-15(6-3-7-15)9-13(18)19/h4-5,8H,3,6-7,9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).