methyl 4-(3-cyclopentylpropylamino)butanoate

C13H25NO2 — CID 106004262

IUPACmethyl 4-(3-cyclopentylpropylamino)butanoate
SMILESCOC(=O)CCCNCCCC1CCCC1
InChIInChI=1S/C13H25NO2/c1-16-13(15)9-5-11-14-10-4-8-12-6-2-3-7-12/h12,14H,2-11H2,1H3
InChIKeyBDXWOOCOJXWYJY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds8

About methyl 4-(3-cyclopentylpropylamino)butanoate

methyl 4-(3-cyclopentylpropylamino)butanoate (PubChem CID 106004262) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 4-(3-cyclopentylpropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-cyclopentylpropylamino)butanoate
PubChem CID106004262
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 4-(3-cyclopentylpropylamino)butanoate
SMILESCOC(=O)CCCNCCCC1CCCC1
InChIInChI=1S/C13H25NO2/c1-16-13(15)9-5-11-14-10-4-8-12-6-2-3-7-12/h12,14H,2-11H2,1H3
InChIKeyBDXWOOCOJXWYJY-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
methyl 8-[4-(2-methoxy-2-oxoethyl)cyclohexyl]octanoate
CID 4068552
methyl 6-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]hexanoate
CID 111608920
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclopentylpropylamino)butanoate?
The IUPAC name of methyl 4-(3-cyclopentylpropylamino)butanoate (CID 106004262) is methyl 4-(3-cyclopentylpropylamino)butanoate.
What is the SMILES notation for methyl 4-(3-cyclopentylpropylamino)butanoate?
The canonical SMILES for methyl 4-(3-cyclopentylpropylamino)butanoate is COC(=O)CCCNCCCC1CCCC1.
What is the InChIKey of methyl 4-(3-cyclopentylpropylamino)butanoate?
The InChIKey is BDXWOOCOJXWYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-13(15)9-5-11-14-10-4-8-12-6-2-3-7-12/h12,14H,2-11H2,1H3.
What are the key properties of methyl 4-(3-cyclopentylpropylamino)butanoate?
methyl 4-(3-cyclopentylpropylamino)butanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclopentylpropylamino)butanoate is sourced from PubChem (CID 106004262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).