tert-butyl 2-(butan-2-ylamino)acetate

C10H21NO2 — CID 54042543

IUPACtert-butyl 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-8(2)11-7-9(12)13-10(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyLNIUBWCOBIFOKW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl 2-(butan-2-ylamino)acetate

tert-butyl 2-(butan-2-ylamino)acetate (PubChem CID 54042543) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl 2-(butan-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(butan-2-ylamino)acetate
PubChem CID54042543
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-8(2)11-7-9(12)13-10(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyLNIUBWCOBIFOKW-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(butan-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(butan-2-ylamino)acetate (CID 54042543) is tert-butyl 2-(butan-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(butan-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(butan-2-ylamino)acetate is CCC(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(butan-2-ylamino)acetate?
The InChIKey is LNIUBWCOBIFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-8(2)11-7-9(12)13-10(3,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2-(butan-2-ylamino)acetate?
tert-butyl 2-(butan-2-ylamino)acetate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(butan-2-ylamino)acetate is sourced from PubChem (CID 54042543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).