2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid

C9H17NO3 — CID 103237165

IUPAC2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
SMILESCOCCCNC1CCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-13-6-2-5-10-8-4-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyUOQQGMADCNDNQR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.48
Rot. Bonds6

About 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid

2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid (PubChem CID 103237165) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
PubChem CID103237165
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
SMILESCOCCCNC1CCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-13-6-2-5-10-8-4-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyUOQQGMADCNDNQR-UHFFFAOYSA-N
XLogP0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxypropylamino)cyclobutane-1-carboxylic 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-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
CID 131701462
2-[(3-methoxy-2-methylpropyl)amino]cyclobutane-1-carboxylic acid
CID 103245626
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
CID 103409528
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid (CID 103237165) is 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid is COCCCNC1CCC1C(=O)O.
What is the InChIKey of 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid?
The InChIKey is UOQQGMADCNDNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-6-2-5-10-8-4-3-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid?
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103237165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).