2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid

C16H23NO2 — CID 122039850

IUPAC2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
SMILESCCCC(NC1CC(c2ccccc2C)C1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-3-6-15(16(18)19)17-13-9-12(10-13)14-8-5-4-7-11(14)2/h4-5,7-8,12-13,15,17H,3,6,9-10H2,1-2H3,(H,18,19)
InChIKeyCRKBRBXSAZXRRP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.08
Rot. Bonds6

About 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid

2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid (PubChem CID 122039850) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
PubChem CID122039850
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid
SMILESCCCC(NC1CC(c2ccccc2C)C1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-3-6-15(16(18)19)17-13-9-12(10-13)14-8-5-4-7-11(14)2/h4-5,7-8,12-13,15,17H,3,6,9-10H2,1-2H3,(H,18,19)
InChIKeyCRKBRBXSAZXRRP-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic 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

2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645
2-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pentanoic acid
CID 122039830
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
3-(2-methylphenyl)-N-(4-methylsulfonylbutan-2-yl)cyclobutan-1-amine
CID 86815004
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
[(2R)-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea
CID 97225022
2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039690
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid?
The IUPAC name of 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid (CID 122039850) is 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid?
The canonical SMILES for 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid is CCCC(NC1CC(c2ccccc2C)C1)C(=O)O.
What is the InChIKey of 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid?
The InChIKey is CRKBRBXSAZXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-6-15(16(18)19)17-13-9-12(10-13)14-8-5-4-7-11(14)2/h4-5,7-8,12-13,15,17H,3,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid?
2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)cyclobutyl]amino]pentanoic acid is sourced from PubChem (CID 122039850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).