tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate

C12H25NO2 — CID 64689549

IUPACtert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
SMILESCCN(C(C)C)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8-13(9(2)3)10(4)11(14)15-12(5,6)7/h9-10H,8H2,1-7H3
InChIKeyQNOLYNDJVROVRX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate

tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate (PubChem CID 64689549) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
PubChem CID64689549
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
SMILESCCN(C(C)C)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-8-13(9(2)3)10(4)11(14)15-12(5,6)7/h9-10H,8H2,1-7H3
InChIKeyQNOLYNDJVROVRX-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 66337048
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl 2-[1-cyanopropan-2-yl(methyl)amino]propanoate
CID 66338517
tert-butyl 2-[bis(3-methylbutyl)amino]propanoate
CID 107870355
4-O-tert-butyl 1-O-ethyl 2-oxo-3-propan-2-ylbutanedioate
CID 10015373
tert-butyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 171904778
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871
tert-butyl 2,2-bis(dimethylamino)acetate
CID 20512349

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate?
The IUPAC name of tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate (CID 64689549) is tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate is CCN(C(C)C)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate?
The InChIKey is QNOLYNDJVROVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8-13(9(2)3)10(4)11(14)15-12(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate?
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 64689549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).