2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid

C15H21NO3 — CID 55231810

IUPAC2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
SMILESCN(C=O)C(C)(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-14(2,3)11-6-8-12(9-7-11)15(4,13(18)19)16(5)10-17/h6-10H,1-5H3,(H,18,19)
InChIKeyCHNJENNDZZBCKH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid

2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid (PubChem CID 55231810) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
PubChem CID55231810
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid
SMILESCN(C=O)C(C)(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-14(2,3)11-6-8-12(9-7-11)15(4,13(18)19)16(5)10-17/h6-10H,1-5H3,(H,18,19)
InChIKeyCHNJENNDZZBCKH-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.37
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-[formyl(methyl)amino]-2-(3-hydroxyphenyl)propanoic acid
CID 63689636
2-(1,3-benzodioxol-5-yl)-2-[formyl(methyl)amino]propanoic acid
CID 63688333
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[formyl(methyl)amino]propanoic acid
CID 63689259
2-[formyl(propan-2-yl)amino]-2-(4-methylphenyl)propanoic acid
CID 63689799
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-[ethyl(formyl)amino]-2-(4-ethylphenyl)propanoic acid
CID 55232403
2-(2,5-dimethoxyphenyl)-2-[formyl(methyl)amino]propanoic acid
CID 63689078
2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 23377158
2-(4-ethylphenyl)-2-[formyl(propan-2-yl)amino]propanoic acid
CID 63705343
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid (CID 55231810) is 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid is CN(C=O)C(C)(C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid?
The InChIKey is CHNJENNDZZBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,3)11-6-8-12(9-7-11)15(4,13(18)19)16(5)10-17/h6-10H,1-5H3,(H,18,19).
What are the key properties of 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid?
2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-[formyl(methyl)amino]propanoic acid is sourced from PubChem (CID 55231810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).