ethyl 3-(methylamino)propanoate

C6H13NO2 — CID 541480

IUPACethyl 3-(methylamino)propanoate
SMILESCCOC(=O)CCNC
InChIInChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3
InChIKeyXVIJMHJTEHBUJI-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds4

About ethyl 3-(methylamino)propanoate

ethyl 3-(methylamino)propanoate (PubChem CID 541480) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl 3-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)propanoate
PubChem CID541480
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl 3-(methylamino)propanoate
SMILESCCOC(=O)CCNC
InChIInChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3
InChIKeyXVIJMHJTEHBUJI-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, ethyl ester, hydrochloride
CID 458475
Ethyl 3-aminopropanoate
CID 419889
Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
3-(Methylazaniumyl)propanoate
CID 25202453
Methyl 3-(methylamino)propanoate
CID 12414198
Methyl 3-[(propan-2-yl)amino]propanoate
CID 12774812
3-(Dimethylazaniumyl)propanoate
CID 25201408
Ethyl 3-((propan-2-yl)amino)propanoate
CID 12636111
Diethyl 3,3'-Iminodipropionate
CID 352310
Methyl 3-[(2-methoxyethyl)amino]propanoate
CID 28307088
Ethyl N-ethyl-beta-alaninate
CID 90223
Ethyl 3-(methylamino)butanoate
CID 10396954

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)propanoate?
The IUPAC name of ethyl 3-(methylamino)propanoate (CID 541480) is ethyl 3-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-(methylamino)propanoate?
The canonical SMILES for ethyl 3-(methylamino)propanoate is CCOC(=O)CCNC.
What is the InChIKey of ethyl 3-(methylamino)propanoate?
The InChIKey is XVIJMHJTEHBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(methylamino)propanoate?
ethyl 3-(methylamino)propanoate has a molecular weight of 131.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)propanoate is sourced from PubChem (CID 541480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).