(3-tert-butylcyclopentyl) 2-aminoacetate

C11H21NO2 — CID 58780775

IUPAC(3-tert-butylcyclopentyl) 2-aminoacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-4-5-9(6-8)14-10(13)7-12/h8-9H,4-7,12H2,1-3H3
InChIKeyQJTJTNBZGGDVDF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds2

About (3-tert-butylcyclopentyl) 2-aminoacetate

(3-tert-butylcyclopentyl) 2-aminoacetate (PubChem CID 58780775) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3-tert-butylcyclopentyl) 2-aminoacetate.

Molecular Properties

Compound Name(3-tert-butylcyclopentyl) 2-aminoacetate
PubChem CID58780775
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3-tert-butylcyclopentyl) 2-aminoacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-4-5-9(6-8)14-10(13)7-12/h8-9H,4-7,12H2,1-3H3
InChIKeyQJTJTNBZGGDVDF-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 (3-tert-butylcyclopentyl) 2-aminoacetate?
The IUPAC name of (3-tert-butylcyclopentyl) 2-aminoacetate (CID 58780775) is (3-tert-butylcyclopentyl) 2-aminoacetate.
What is the SMILES notation for (3-tert-butylcyclopentyl) 2-aminoacetate?
The canonical SMILES for (3-tert-butylcyclopentyl) 2-aminoacetate is CC(C)(C)C1CCC(OC(=O)CN)C1.
What is the InChIKey of (3-tert-butylcyclopentyl) 2-aminoacetate?
The InChIKey is QJTJTNBZGGDVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)8-4-5-9(6-8)14-10(13)7-12/h8-9H,4-7,12H2,1-3H3.
What are the key properties of (3-tert-butylcyclopentyl) 2-aminoacetate?
(3-tert-butylcyclopentyl) 2-aminoacetate 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 (3-tert-butylcyclopentyl) 2-aminoacetate is sourced from PubChem (CID 58780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).