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

C9H19NO2 — CID 11469352

IUPACtert-butyl 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-8(11)12-9(3,4)5/h7,10H,6H2,1-5H3
InChIKeyNGSAOBOSMSHVEN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds3

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

tert-butyl 2-(propan-2-ylamino)acetate (PubChem CID 11469352) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(propan-2-ylamino)acetate
PubChem CID11469352
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 2-(propan-2-ylamino)acetate
SMILESCC(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-6-8(11)12-9(3,4)5/h7,10H,6H2,1-5H3
InChIKeyNGSAOBOSMSHVEN-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(propan-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(propan-2-ylamino)acetate (CID 11469352) is tert-butyl 2-(propan-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(propan-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(propan-2-ylamino)acetate is CC(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(propan-2-ylamino)acetate?
The InChIKey is NGSAOBOSMSHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-6-8(11)12-9(3,4)5/h7,10H,6H2,1-5H3.
What are the key properties of tert-butyl 2-(propan-2-ylamino)acetate?
tert-butyl 2-(propan-2-ylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(propan-2-ylamino)acetate is sourced from PubChem (CID 11469352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).