4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid

C17H24N2O4 — CID 122009757

IUPAC4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
SMILESCOc1ccc(C2(CNC(=O)NCCCC(=O)O)CCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-23-14-7-5-13(6-8-14)17(9-3-10-17)12-19-16(22)18-11-2-4-15(20)21/h5-8H,2-4,9-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyHNRHQXUXKMDZPL-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.28
Rot. Bonds8

About 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid

4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid (PubChem CID 122009757) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
PubChem CID122009757
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
SMILESCOc1ccc(C2(CNC(=O)NCCCC(=O)O)CCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-23-14-7-5-13(6-8-14)17(9-3-10-17)12-19-16(22)18-11-2-4-15(20)21/h5-8H,2-4,9-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyHNRHQXUXKMDZPL-UHFFFAOYSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
tert-butyl N-[4-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-4-oxobutyl]carbamate
CID 60587048
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
3-[[1-(4-bromophenyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 122003095
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
ethyl 4-[(1-phenylcyclopentyl)methylcarbamoylamino]butanoate
CID 112806288
4-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122003816
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
1-[(1-phenylcyclobutyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 86925087

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid (CID 122009757) is 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid is COc1ccc(C2(CNC(=O)NCCCC(=O)O)CCC2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid?
The InChIKey is HNRHQXUXKMDZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-14-7-5-13(6-8-14)17(9-3-10-17)12-19-16(22)18-11-2-4-15(20)21/h5-8H,2-4,9-12H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid?
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 122009757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).