4-[formyl(methyl)amino]butanoic acid

C6H11NO3 — CID 19820848

IUPAC4-[formyl(methyl)amino]butanoic acid
SMILESCN(C=O)CCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7(5-8)4-2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyZEBDTGAKKZZZPM-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds5

About 4-[formyl(methyl)amino]butanoic acid

4-[formyl(methyl)amino]butanoic acid (PubChem CID 19820848) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[formyl(methyl)amino]butanoic acid
PubChem CID19820848
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name4-[formyl(methyl)amino]butanoic acid
SMILESCN(C=O)CCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7(5-8)4-2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyZEBDTGAKKZZZPM-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

4-Trimethylammoniobutanoate
CID 134
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
4-(Dimethylamino)butyric acid
CID 239820
4-(N-Hydroxyformamido)Butanoic Acid
CID 53323062
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
4-(Dimethylamino)butanoic acid;hydron;chloride
CID 74764542
4-(N-methylacetamido)butanoic acid
CID 19900399
4-[Carbonochloridoyl(methyl)amino]butanoic acid
CID 22124152
4-(Ethyl(methyl)amino)butanoic acid
CID 22947968
3-Carboxypropyl(trimethyl)azanium hydroxide
CID 24864762
4-[Ethyl(methyl)amino]-4-oxobutanoic acid
CID 43263141
4-[Formyl(propyl)amino]butanoic acid
CID 53873287

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[formyl(methyl)amino]butanoic acid (CID 19820848) is 4-[formyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[formyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[formyl(methyl)amino]butanoic acid is CN(C=O)CCCC(=O)O.
What is the InChIKey of 4-[formyl(methyl)amino]butanoic acid?
The InChIKey is ZEBDTGAKKZZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7(5-8)4-2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-[formyl(methyl)amino]butanoic acid?
4-[formyl(methyl)amino]butanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]butanoic acid is sourced from PubChem (CID 19820848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).