propan-2-yl 3-aminocyclobutane-1-carboxylate

C8H15NO2 — CID 164649392

IUPACpropan-2-yl 3-aminocyclobutane-1-carboxylate
SMILESCC(C)OC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO2/c1-5(2)11-8(10)6-3-7(9)4-6/h5-7H,3-4,9H2,1-2H3
InChIKeyVOLBFXAKKCBRHU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds2

About propan-2-yl 3-aminocyclobutane-1-carboxylate

propan-2-yl 3-aminocyclobutane-1-carboxylate (PubChem CID 164649392) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propan-2-yl 3-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-aminocyclobutane-1-carboxylate
PubChem CID164649392
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropan-2-yl 3-aminocyclobutane-1-carboxylate
SMILESCC(C)OC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO2/c1-5(2)11-8(10)6-3-7(9)4-6/h5-7H,3-4,9H2,1-2H3
InChIKeyVOLBFXAKKCBRHU-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-aminocyclobutane-1-carboxylate?
The IUPAC name of propan-2-yl 3-aminocyclobutane-1-carboxylate (CID 164649392) is propan-2-yl 3-aminocyclobutane-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-aminocyclobutane-1-carboxylate?
The canonical SMILES for propan-2-yl 3-aminocyclobutane-1-carboxylate is CC(C)OC(=O)C1CC(N)C1.
What is the InChIKey of propan-2-yl 3-aminocyclobutane-1-carboxylate?
The InChIKey is VOLBFXAKKCBRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)11-8(10)6-3-7(9)4-6/h5-7H,3-4,9H2,1-2H3.
What are the key properties of propan-2-yl 3-aminocyclobutane-1-carboxylate?
propan-2-yl 3-aminocyclobutane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 164649392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).