tert-butyl 3-(methylamino)propanoate

C8H17NO2 — CID 14760311

IUPACtert-butyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-6-9-4/h9H,5-6H2,1-4H3
InChIKeyQFMOPRNLDIPINY-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds3

About tert-butyl 3-(methylamino)propanoate

tert-butyl 3-(methylamino)propanoate (PubChem CID 14760311) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is tert-butyl 3-(methylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(methylamino)propanoate
PubChem CID14760311
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametert-butyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-6-9-4/h9H,5-6H2,1-4H3
InChIKeyQFMOPRNLDIPINY-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

tert-Butyl 3-aminopropanoate
CID 4192171
Tert-butyl 3-aminopropanoate hydrochloride
CID 16218890
Tert-butyl 3-((2-methoxyethyl)amino)propanoate
CID 42656843
Di-tert-butyl 3,3'-Iminodipropionate
CID 10945622
Tert-butyl 3-amino-2,2-dimethylpropanoate
CID 15430260
tert-Butyl 3-amino-2-methylpropionate
CID 14557403
tert-Butyl azetidine-3-carboxylate
CID 21828700
tert-Butyl azetidine-3-carboxylate hydrochloride
CID 67346984
Tert-butyl 3-((2-aminoethyl)(methyl)amino)propanoate
CID 146049097
Tert-butyl 3-amino-2-methylpropanoate hydrochloride
CID 122163749
Tert-butyl 3-(dimethylamino)propanoate
CID 13312358
Tert-butyl 3-(tert-butylamino)propanoate
CID 13976268

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylamino)propanoate?
The IUPAC name of tert-butyl 3-(methylamino)propanoate (CID 14760311) is tert-butyl 3-(methylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(methylamino)propanoate?
The canonical SMILES for tert-butyl 3-(methylamino)propanoate is CNCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(methylamino)propanoate?
The InChIKey is QFMOPRNLDIPINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-6-9-4/h9H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(methylamino)propanoate?
tert-butyl 3-(methylamino)propanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylamino)propanoate is sourced from PubChem (CID 14760311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).