3-[methoxy(methyl)amino]propanoic acid

C5H11NO3 — CID 55208063

IUPAC3-[methoxy(methyl)amino]propanoic acid
SMILESCON(C)CCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6(9-2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyUXJTYVHXNFLTPP-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.05
Rot. Bonds4

About 3-[methoxy(methyl)amino]propanoic acid

3-[methoxy(methyl)amino]propanoic acid (PubChem CID 55208063) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-[methoxy(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)amino]propanoic acid
PubChem CID55208063
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name3-[methoxy(methyl)amino]propanoic acid
SMILESCON(C)CCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6(9-2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKeyUXJTYVHXNFLTPP-UHFFFAOYSA-N
XLogP-0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-(N-methoxyanilino)propanoic acid
CID 159444920
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936
3-[2-carboxyethyl(dimethylamino)amino]propanoic acid
CID 4178172
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)amino]propanoic acid?
The IUPAC name of 3-[methoxy(methyl)amino]propanoic acid (CID 55208063) is 3-[methoxy(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[methoxy(methyl)amino]propanoic acid?
The canonical SMILES for 3-[methoxy(methyl)amino]propanoic acid is CON(C)CCC(=O)O.
What is the InChIKey of 3-[methoxy(methyl)amino]propanoic acid?
The InChIKey is UXJTYVHXNFLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(9-2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-[methoxy(methyl)amino]propanoic acid?
3-[methoxy(methyl)amino]propanoic acid has a molecular weight of 133.15 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)amino]propanoic acid is sourced from PubChem (CID 55208063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).