tert-butyl 2-(methylamino)propanoate

C8H17NO2 — CID 18404472

IUPACtert-butyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9-5)7(10)11-8(2,3)4/h6,9H,1-5H3
InChIKeyXDNKVSNTIKZEMC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds2

About tert-butyl 2-(methylamino)propanoate

tert-butyl 2-(methylamino)propanoate (PubChem CID 18404472) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)propanoate
PubChem CID18404472
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(9-5)7(10)11-8(2,3)4/h6,9H,1-5H3
InChIKeyXDNKVSNTIKZEMC-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)propanoate?
The IUPAC name of tert-butyl 2-(methylamino)propanoate (CID 18404472) is tert-butyl 2-(methylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(methylamino)propanoate?
The canonical SMILES for tert-butyl 2-(methylamino)propanoate is CNC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)propanoate?
The InChIKey is XDNKVSNTIKZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(9-5)7(10)11-8(2,3)4/h6,9H,1-5H3.
What are the key properties of tert-butyl 2-(methylamino)propanoate?
tert-butyl 2-(methylamino)propanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)propanoate is sourced from PubChem (CID 18404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).