3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid

C7H13NO3 — CID 154708185

IUPAC3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCN(C=O)CC(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,6(10)11)4-8(3)5-9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyFGQHACZYLMWWAS-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.19
Rot. Bonds4

About 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid

3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 154708185) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
PubChem CID154708185
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCN(C=O)CC(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,6(10)11)4-8(3)5-9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyFGQHACZYLMWWAS-UHFFFAOYSA-N
XLogP0.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid (CID 154708185) is 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid is CN(C=O)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is FGQHACZYLMWWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,6(10)11)4-8(3)5-9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid?
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 154708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).