2-[formyl(methyl)amino]-2-methylpropanoic acid

C6H11NO3 — CID 23279437

IUPAC2-[formyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,5(9)10)7(3)4-8/h4H,1-3H3,(H,9,10)
InChIKeyYEQBEANDVHNRTI-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds3

About 2-[formyl(methyl)amino]-2-methylpropanoic acid

2-[formyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 23279437) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-2-methylpropanoic acid
PubChem CID23279437
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[formyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C=O)C(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,5(9)10)7(3)4-8/h4H,1-3H3,(H,9,10)
InChIKeyYEQBEANDVHNRTI-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

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 13370336
2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
2-[(Methoxycarbonyl)(methyl)amino]-2-methylpropanoic acid
CID 54312807
Trimethylalanine
CID 151418
N-formyl methylalanine
CID 45087478
2-[Ethyl(formyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106523377
3,3,3-Trifluoro-2-[formyl(methyl)amino]-2-methylpropanoic acid
CID 106523378
1-[Formyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 13556585
2-(N-tert-butylformamido)acetic acid
CID 19845459
Dicarboxy-(2-carboxypropan-2-yl)-methylazanium
CID 19973714
2-Carboxypropan-2-yl(trimethyl)azanium
CID 21226529
2-[Formyl(methyl)amino]propanoic acid
CID 23279436

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[formyl(methyl)amino]-2-methylpropanoic acid (CID 23279437) is 2-[formyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[formyl(methyl)amino]-2-methylpropanoic acid is CN(C=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[formyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is YEQBEANDVHNRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2,5(9)10)7(3)4-8/h4H,1-3H3,(H,9,10).
What are the key properties of 2-[formyl(methyl)amino]-2-methylpropanoic acid?
2-[formyl(methyl)amino]-2-methylpropanoic 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 2-[formyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 23279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).