propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

C13H23NO3 — CID 139604536

IUPACpropan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCC(C)COC1CCC(C(=O)OC(C)C)=C1N
InChIInChI=1S/C13H23NO3/c1-8(2)7-16-11-6-5-10(12(11)14)13(15)17-9(3)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyUBUPSVVDYRKHJH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds5

About propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (PubChem CID 139604536) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
PubChem CID139604536
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namepropan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCC(C)COC1CCC(C(=O)OC(C)C)=C1N
InChIInChI=1S/C13H23NO3/c1-8(2)7-16-11-6-5-10(12(11)14)13(15)17-9(3)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyUBUPSVVDYRKHJH-UHFFFAOYSA-N
XLogP1.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
CID 139604550
ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
CID 139604554
propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
CID 139604564
ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
CID 139604542
bis(2-methylpropyl) bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 70926071
CID 50923065
CID 50923065
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57314736
2-methylpropyl cyclopropanecarboxylate
CID 549520
2-methylpropyl dipropan-2-yl methanetricarboxylate
CID 14383844
2-methylpropyl (1R,5S,6R)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22081518
propan-2-yl 2-amino-6-(cyclopentyloxymethyl)benzoate
CID 62086478

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The IUPAC name of propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (CID 139604536) is propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is CC(C)COC1CCC(C(=O)OC(C)C)=C1N.
What is the InChIKey of propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The InChIKey is UBUPSVVDYRKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(2)7-16-11-6-5-10(12(11)14)13(15)17-9(3)4/h8-9,11H,5-7,14H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 139604536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).