ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate

C11H21NO2 — CID 138991549

IUPACethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4/h8H,5-7,12H2,1-4H3
InChIKeyIENHRIXBJKOMPS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds2

About ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate

ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate (PubChem CID 138991549) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate
PubChem CID138991549
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4/h8H,5-7,12H2,1-4H3
InChIKeyIENHRIXBJKOMPS-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate (CID 138991549) is ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate is CCOC(=O)C1(N)CC(C(C)(C)C)C1.
What is the InChIKey of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate?
The InChIKey is IENHRIXBJKOMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-14-9(13)11(12)6-8(7-11)10(2,3)4/h8H,5-7,12H2,1-4H3.
What are the key properties of ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate?
ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate is sourced from PubChem (CID 138991549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).