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

C13H23NO2 — CID 106004248

IUPAC2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCCC1CCCC1
InChIInChI=1S/C13H23NO2/c15-13(16)11-7-8-12(11)14-9-3-6-10-4-1-2-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyPWIHTQRWBHLGKL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds6

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

2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid (PubChem CID 106004248) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
PubChem CID106004248
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCCC1CCCC1
InChIInChI=1S/C13H23NO2/c15-13(16)11-7-8-12(11)14-9-3-6-10-4-1-2-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyPWIHTQRWBHLGKL-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
3-cyclohexylpropylcarbamic acid
CID 54479876
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid (CID 106004248) is 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCCC1CCCC1.
What is the InChIKey of 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid?
The InChIKey is PWIHTQRWBHLGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(16)11-7-8-12(11)14-9-3-6-10-4-1-2-5-10/h10-12,14H,1-9H2,(H,15,16).
What are the key properties of 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid?
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106004248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).