methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate

C9H15NO2 — CID 90258796

IUPACmethyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(N)C(C)(C)CC1
InChIInChI=1S/C9H15NO2/c1-9(2)5-4-6(7(9)10)8(11)12-3/h4-5,10H2,1-3H3
InChIKeySYZPMOIQLAGXTR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.19
Rot. Bonds1

About methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate

methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate (PubChem CID 90258796) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
PubChem CID90258796
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(N)C(C)(C)CC1
InChIInChI=1S/C9H15NO2/c1-9(2)5-4-6(7(9)10)8(11)12-3/h4-5,10H2,1-3H3
InChIKeySYZPMOIQLAGXTR-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371
methyl 5-amino-2,3-dihydrofuran-4-carboxylate
CID 12645597
methyl 3-amino-2-chlorocyclohexa-1,3-diene-1-carboxylate
CID 163597275
methyl 2-methylcyclobutene-1-carboxylate
CID 21107903
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
methyl 2-diethoxyphosphoryloxy-4,4-dimethylcyclohexene-1-carboxylate
CID 11023638
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl 4-methyl-4-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
CID 178085623
dimethyl 11-oxatricyclo[4.4.1.01,6]undec-3-ene-3,4-dicarboxylate
CID 117069886
ethyl 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylate
CID 586472
methyl (1S,7R)-3-hydroxy-8,8-dimethylbicyclo[5.1.0]oct-3-ene-4-carboxylate
CID 54724526
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate (CID 90258796) is methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate is COC(=O)C1=C(N)C(C)(C)CC1.
What is the InChIKey of methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate?
The InChIKey is SYZPMOIQLAGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2)5-4-6(7(9)10)8(11)12-3/h4-5,10H2,1-3H3.
What are the key properties of methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate?
methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate is sourced from PubChem (CID 90258796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).