ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate

C12H21NO2 — CID 174606518

IUPACethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCC2)CC1(C)N
InChIInChI=1S/C12H21NO2/c1-3-15-10(14)12(8-11(12,2)13)9-6-4-5-7-9/h9H,3-8,13H2,1-2H3
InChIKeyQQBOBWRDJLFULL-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate

ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate (PubChem CID 174606518) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
PubChem CID174606518
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCC2)CC1(C)N
InChIInChI=1S/C12H21NO2/c1-3-15-10(14)12(8-11(12,2)13)9-6-4-5-7-9/h9H,3-8,13H2,1-2H3
InChIKeyQQBOBWRDJLFULL-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
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ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
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ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
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ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754
ethyl 1-cyclohexyl-2-oxocyclohexane-1-carboxylate
CID 103574643
trans-ethyl (1S,2R)-2-(2-ethoxy-2-oxoethyl)-1-methylcyclopentane-1-carboxylate
CID 14958532
ethyl (2R,3S)-3-hydroxy-2-methyloxepane-2-carboxylate
CID 122224173
ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
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ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
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CID 92980111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate (CID 174606518) is ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate is CCOC(=O)C1(C2CCCC2)CC1(C)N.
What is the InChIKey of ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is QQBOBWRDJLFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-10(14)12(8-11(12,2)13)9-6-4-5-7-9/h9H,3-8,13H2,1-2H3.
What are the key properties of ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate?
ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 211.30 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-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 174606518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).