2-[benzyl(2,2-dimethylpropyl)amino]acetic acid

C14H21NO2 — CID 119135307

IUPAC2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
SMILESCC(C)(C)CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-15(10-13(16)17)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,17)
InChIKeyUFHSXWNHANGGDT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds5

About 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid

2-[benzyl(2,2-dimethylpropyl)amino]acetic acid (PubChem CID 119135307) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
PubChem CID119135307
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
SMILESCC(C)(C)CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-15(10-13(16)17)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,17)
InChIKeyUFHSXWNHANGGDT-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
CID 119135308
2-[[2,2-bis[[bis(carboxymethyl)amino]methyl]-3-(dibenzylamino)propyl]-(carboxymethyl)amino]acetic acid
CID 11445219
2-[benzyl-(2-hydroxy-2-methylpropyl)amino]acetate
CID 86671796
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
3-[[benzyl(2,2-dimethylpropyl)carbamoyl]amino]propanoic acid
CID 122019025
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
2-[benzyl(4,4-dimethylpentanoyl)amino]acetic acid
CID 119196880
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500
2-[[4-(hydroxymethyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113365882

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid?
The IUPAC name of 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid (CID 119135307) is 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid is CC(C)(C)CN(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid?
The InChIKey is UFHSXWNHANGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)11-15(10-13(16)17)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid?
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2,2-dimethylpropyl)amino]acetic acid is sourced from PubChem (CID 119135307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).