ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate

C12H21NO2 — CID 65045290

IUPACethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCC1C
InChIInChI=1S/C12H21NO2/c1-3-15-11(14)12(13-10-6-7-10)8-4-5-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyXXFQKSGVXMHPOH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate

ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate (PubChem CID 65045290) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
PubChem CID65045290
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCCC1C
InChIInChI=1S/C12H21NO2/c1-3-15-11(14)12(13-10-6-7-10)8-4-5-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyXXFQKSGVXMHPOH-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate (CID 65045290) is ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCCC1C.
What is the InChIKey of ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate?
The InChIKey is XXFQKSGVXMHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-11(14)12(13-10-6-7-10)8-4-5-9(12)2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate?
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 65045290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).