ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

C12H21NO3 — CID 139604554

IUPACethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OCC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-4-15-12(14)9-5-6-10(11(9)13)16-7-8(2)3/h8,10H,4-7,13H2,1-3H3
InChIKeyIEERPQJXTAHDNC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (PubChem CID 139604554) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
PubChem CID139604554
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OCC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-4-15-12(14)9-5-6-10(11(9)13)16-7-8(2)3/h8,10H,4-7,13H2,1-3H3
InChIKeyIEERPQJXTAHDNC-UHFFFAOYSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (CID 139604554) is ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is CCOC(=O)C1=C(N)C(OCC(C)C)CC1.
What is the InChIKey of ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The InChIKey is IEERPQJXTAHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-15-12(14)9-5-6-10(11(9)13)16-7-8(2)3/h8,10H,4-7,13H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 139604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).