propan-2-yl 2-aminocyclopentane-1-carboxylate

C9H17NO2 — CID 64815896

IUPACpropan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-3-5-8(7)10/h6-8H,3-5,10H2,1-2H3
InChIKeyOIIMZLWTZVKODP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds2

About propan-2-yl 2-aminocyclopentane-1-carboxylate

propan-2-yl 2-aminocyclopentane-1-carboxylate (PubChem CID 64815896) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is propan-2-yl 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-aminocyclopentane-1-carboxylate
PubChem CID64815896
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepropan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-3-5-8(7)10/h6-8H,3-5,10H2,1-2H3
InChIKeyOIIMZLWTZVKODP-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-aminocyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl 2-aminocyclopentane-1-carboxylate (CID 64815896) is propan-2-yl 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl 2-aminocyclopentane-1-carboxylate is CC(C)OC(=O)C1CCCC1N.
What is the InChIKey of propan-2-yl 2-aminocyclopentane-1-carboxylate?
The InChIKey is OIIMZLWTZVKODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)12-9(11)7-4-3-5-8(7)10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of propan-2-yl 2-aminocyclopentane-1-carboxylate?
propan-2-yl 2-aminocyclopentane-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64815896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).