methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate

C13H25NO2 — CID 79863323

IUPACmethyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
SMILESCOC(=O)CC1(C(C)(C)N)CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)7-6-8-13(11,12(3,4)14)9-10(15)16-5/h6-9,14H2,1-5H3
InChIKeyXYDFQMPXYDNTJD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate

methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate (PubChem CID 79863323) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
PubChem CID79863323
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
SMILESCOC(=O)CC1(C(C)(C)N)CCCC1(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)7-6-8-13(11,12(3,4)14)9-10(15)16-5/h6-9,14H2,1-5H3
InChIKeyXYDFQMPXYDNTJD-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]ethanol
CID 79863428
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-[(1,2,2-trimethylcyclopentanecarbonyl)amino]acetate
CID 135255088
methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
CID 66099022
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate
CID 66098610
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
methyl 2-(1-ethoxycyclobutyl)acetate
CID 103272473
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
methyl 2-(1-tert-butylperoxycyclohexyl)acetate
CID 101349207

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate?
The IUPAC name of methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate (CID 79863323) is methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate is COC(=O)CC1(C(C)(C)N)CCCC1(C)C.
What is the InChIKey of methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate?
The InChIKey is XYDFQMPXYDNTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)7-6-8-13(11,12(3,4)14)9-10(15)16-5/h6-9,14H2,1-5H3.
What are the key properties of methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate?
methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate is sourced from PubChem (CID 79863323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).