3-[acetyl(methyl)amino]propanoic acid

C6H11NO3 — CID 541580

IUPAC3-[acetyl(methyl)amino]propanoic acid
SMILESCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)7(2)4-3-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyCUAUMKXJKVIJHG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds3

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

3-[acetyl(methyl)amino]propanoic acid (PubChem CID 541580) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-[acetyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(methyl)amino]propanoic acid
PubChem CID541580
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-[acetyl(methyl)amino]propanoic acid
SMILESCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)7(2)4-3-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyCUAUMKXJKVIJHG-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[acetyl(methyl)amino]propanoic acid (CID 541580) is 3-[acetyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(methyl)amino]propanoic acid is CC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[acetyl(methyl)amino]propanoic acid?
The InChIKey is CUAUMKXJKVIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)7(2)4-3-6(9)10/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-[acetyl(methyl)amino]propanoic acid?
3-[acetyl(methyl)amino]propanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(methyl)amino]propanoic acid is sourced from PubChem (CID 541580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).