3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid

C17H24N2O4 — CID 122009760

IUPAC3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(C2(CNC(=O)N(C)CCC(=O)O)CCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-19(11-8-15(20)21)16(22)18-12-17(9-3-10-17)13-4-6-14(23-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyFOPBPWPQLMYYCD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.23
Rot. Bonds7

About 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid

3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid (PubChem CID 122009760) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
PubChem CID122009760
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(C2(CNC(=O)N(C)CCC(=O)O)CCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-19(11-8-15(20)21)16(22)18-12-17(9-3-10-17)13-4-6-14(23-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyFOPBPWPQLMYYCD-UHFFFAOYSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
3-[[1-(2-bromophenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015123
3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 126451957
3-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015595
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47921780
2-(4-methoxyphenyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110437831
3-[[3-(4-methoxyphenyl)-2-methylpropyl]carbamoyl-methylamino]propanoic acid
CID 122008074

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid (CID 122009760) is 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid is COc1ccc(C2(CNC(=O)N(C)CCC(=O)O)CCC2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid?
The InChIKey is FOPBPWPQLMYYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19(11-8-15(20)21)16(22)18-12-17(9-3-10-17)13-4-6-14(23-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid?
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122009760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).