methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate

C14H27NO2 — CID 115128640

IUPACmethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(C)(C)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-13(2,11-8-6-7-9-11)10-15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3
InChIKeyXUDPETWLBYMXPW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate

methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate (PubChem CID 115128640) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
PubChem CID115128640
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(C)(C)C1CCCC1
InChIInChI=1S/C14H27NO2/c1-13(2,11-8-6-7-9-11)10-15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3
InChIKeyXUDPETWLBYMXPW-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-cyclohexylethylamino)-2-methylpropanoate
CID 79047361
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
methyl 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylpropanoate
CID 81412028
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate (CID 115128640) is methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NCC(C)(C)C1CCCC1.
What is the InChIKey of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate?
The InChIKey is XUDPETWLBYMXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,11-8-6-7-9-11)10-15-14(3,4)12(16)17-5/h11,15H,6-10H2,1-5H3.
What are the key properties of methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate?
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).