(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate

C12H23NO3 — CID 129145511

IUPAC(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate
SMILESCCC1(O)CCC1OC(=O)C(C)(C)C(C)N
InChIInChI=1S/C12H23NO3/c1-5-12(15)7-6-9(12)16-10(14)11(3,4)8(2)13/h8-9,15H,5-7,13H2,1-4H3
InChIKeyREOCXUBVVMHWJH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.21
Rot. Bonds4

About (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate

(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate (PubChem CID 129145511) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate
PubChem CID129145511
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate
SMILESCCC1(O)CCC1OC(=O)C(C)(C)C(C)N
InChIInChI=1S/C12H23NO3/c1-5-12(15)7-6-9(12)16-10(14)11(3,4)8(2)13/h8-9,15H,5-7,13H2,1-4H3
InChIKeyREOCXUBVVMHWJH-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate?
The IUPAC name of (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate (CID 129145511) is (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate.
What is the SMILES notation for (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate?
The canonical SMILES for (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate is CCC1(O)CCC1OC(=O)C(C)(C)C(C)N.
What is the InChIKey of (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate?
The InChIKey is REOCXUBVVMHWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-12(15)7-6-9(12)16-10(14)11(3,4)8(2)13/h8-9,15H,5-7,13H2,1-4H3.
What are the key properties of (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate?
(2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-hydroxycyclobutyl) 3-amino-2,2-dimethylbutanoate is sourced from PubChem (CID 129145511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).