2-[carboxy(methyl)amino]propanoic acid

C5H9NO4 — CID 55301612

IUPAC2-[carboxy(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(4(7)8)6(2)5(9)10/h3H,1-2H3,(H,7,8)(H,9,10)
InChIKeyIOIRGWYVAALWTC-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.07
Rot. Bonds2

About 2-[carboxy(methyl)amino]propanoic acid

2-[carboxy(methyl)amino]propanoic acid (PubChem CID 55301612) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[carboxy(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[carboxy(methyl)amino]propanoic acid
PubChem CID55301612
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-[carboxy(methyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(4(7)8)6(2)5(9)10/h3H,1-2H3,(H,7,8)(H,9,10)
InChIKeyIOIRGWYVAALWTC-UHFFFAOYSA-N
XLogP0.07
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(methyl)amino]propanoic acid?
The IUPAC name of 2-[carboxy(methyl)amino]propanoic acid (CID 55301612) is 2-[carboxy(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[carboxy(methyl)amino]propanoic acid?
The canonical SMILES for 2-[carboxy(methyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)O.
What is the InChIKey of 2-[carboxy(methyl)amino]propanoic acid?
The InChIKey is IOIRGWYVAALWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(4(7)8)6(2)5(9)10/h3H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-[carboxy(methyl)amino]propanoic acid?
2-[carboxy(methyl)amino]propanoic acid has a molecular weight of 147.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(methyl)amino]propanoic acid is sourced from PubChem (CID 55301612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).