2-(methylamino)acetaldehyde;2-methylpropanoic acid

C7H15NO3 — CID 23463592

IUPAC2-(methylamino)acetaldehyde;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CNCC=O
InChIInChI=1S/C4H8O2.C3H7NO/c1-3(2)4(5)6;1-4-2-3-5/h3H,1-2H3,(H,5,6);3-4H,2H2,1H3
InChIKeyJKWGVPFYIFLGAA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.13
Rot. Bonds3

About 2-(methylamino)acetaldehyde;2-methylpropanoic acid

2-(methylamino)acetaldehyde;2-methylpropanoic acid (PubChem CID 23463592) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(methylamino)acetaldehyde;2-methylpropanoic acid.

Molecular Properties

Compound Name2-(methylamino)acetaldehyde;2-methylpropanoic acid
PubChem CID23463592
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(methylamino)acetaldehyde;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CNCC=O
InChIInChI=1S/C4H8O2.C3H7NO/c1-3(2)4(5)6;1-4-2-3-5/h3H,1-2H3,(H,5,6);3-4H,2H2,1H3
InChIKeyJKWGVPFYIFLGAA-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
2-methylpropanoic acid
CID 173073412
(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
CID 88693917
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
azane;2-methylpropanoic acid;hydrate
CID 161320294
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
dichloromethane;2-methylpropanoic acid
CID 161358956
2-hydroxyacetaldehyde;2-(methylamino)propanoic acid;propane
CID 170591176
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetaldehyde;2-methylpropanoic acid?
The IUPAC name of 2-(methylamino)acetaldehyde;2-methylpropanoic acid (CID 23463592) is 2-(methylamino)acetaldehyde;2-methylpropanoic acid.
What is the SMILES notation for 2-(methylamino)acetaldehyde;2-methylpropanoic acid?
The canonical SMILES for 2-(methylamino)acetaldehyde;2-methylpropanoic acid is CC(C)C(=O)O.CNCC=O.
What is the InChIKey of 2-(methylamino)acetaldehyde;2-methylpropanoic acid?
The InChIKey is JKWGVPFYIFLGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H7NO/c1-3(2)4(5)6;1-4-2-3-5/h3H,1-2H3,(H,5,6);3-4H,2H2,1H3.
What are the key properties of 2-(methylamino)acetaldehyde;2-methylpropanoic acid?
2-(methylamino)acetaldehyde;2-methylpropanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetaldehyde;2-methylpropanoic acid is sourced from PubChem (CID 23463592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).