methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate

C14H27NO2 — CID 115233556

IUPACmethyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
SMILESCOC(=O)CCCNCC(C)(C)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,12-7-4-5-8-12)11-15-10-6-9-13(16)17-3/h12,15H,4-11H2,1-3H3
InChIKeyDFQGSSPMNBCEJI-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.75
Rot. Bonds7

About methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate

methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate (PubChem CID 115233556) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
PubChem CID115233556
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
SMILESCOC(=O)CCCNCC(C)(C)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,12-7-4-5-8-12)11-15-10-6-9-13(16)17-3/h12,15H,4-11H2,1-3H3
InChIKeyDFQGSSPMNBCEJI-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.75
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 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate (CID 115233556) is methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate is COC(=O)CCCNCC(C)(C)C1CCCC1.
What is the InChIKey of methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate?
The InChIKey is DFQGSSPMNBCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,12-7-4-5-8-12)11-15-10-6-9-13(16)17-3/h12,15H,4-11H2,1-3H3.
What are the key properties of methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate?
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate has a molecular weight of 241.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate is sourced from PubChem (CID 115233556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).