propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate

C12H21NO3 — CID 139604564

IUPACpropan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
SMILESCC(C)OC(=O)C1=C(N)C(OC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-7(2)15-10-6-5-9(11(10)13)12(14)16-8(3)4/h7-8,10H,5-6,13H2,1-4H3
InChIKeySBBFYKGSZFKTLA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.74
Rot. Bonds4

About propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate

propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate (PubChem CID 139604564) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
PubChem CID139604564
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namepropan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
SMILESCC(C)OC(=O)C1=C(N)C(OC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-7(2)15-10-6-5-9(11(10)13)12(14)16-8(3)4/h7-8,10H,5-6,13H2,1-4H3
InChIKeySBBFYKGSZFKTLA-UHFFFAOYSA-N
XLogP1.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The IUPAC name of propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate (CID 139604564) is propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate is CC(C)OC(=O)C1=C(N)C(OC(C)C)CC1.
What is the InChIKey of propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The InChIKey is SBBFYKGSZFKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(2)15-10-6-5-9(11(10)13)12(14)16-8(3)4/h7-8,10H,5-6,13H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
propan-2-yl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.74, 4 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-propan-2-yloxycyclopentene-1-carboxylate is sourced from PubChem (CID 139604564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).