ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate

C11H21NO2 — CID 80699029

IUPACethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N)CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-9(13)7-11(12)6-5-10(2,3)8-11/h4-8,12H2,1-3H3
InChIKeyVXNUZJOOYQIHKQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate

ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate (PubChem CID 80699029) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
PubChem CID80699029
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N)CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-9(13)7-11(12)6-5-10(2,3)8-11/h4-8,12H2,1-3H3
InChIKeyVXNUZJOOYQIHKQ-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
CID 80698917
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
1-O-ethyl 2-O-propyl 1,2,4,4-tetramethylcyclohexane-1,2-dicarboxylate
CID 146562618
diethyl 2-[1-(2-ethoxy-2-oxoethyl)-2,2-dimethylcyclopropyl]propanedioate
CID 12709518
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate (CID 80699029) is ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate is CCOC(=O)CC1(N)CCC(C)(C)C1.
What is the InChIKey of ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate?
The InChIKey is VXNUZJOOYQIHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-9(13)7-11(12)6-5-10(2,3)8-11/h4-8,12H2,1-3H3.
What are the key properties of ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate?
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate is sourced from PubChem (CID 80699029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).