2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid

C14H19NO4 — CID 84748660

IUPAC2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(C(C(=O)O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(14(18)19)15(3)8-12(16)17/h4-7,9,13H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWXKZBRHUCCFMT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.95
Rot. Bonds6

About 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid

2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid (PubChem CID 84748660) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
PubChem CID84748660
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(C(C(=O)O)N(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(14(18)19)15(3)8-12(16)17/h4-7,9,13H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGWXKZBRHUCCFMT-UHFFFAOYSA-N
XLogP1.95
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
2-[[2-amino-1-[4-(dimethylamino)phenyl]-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84758204
3-[[carboxy-(4-hydroxyphenyl)methyl]-methylamino]propanoic acid
CID 84750142
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
2-[[(2S,3R)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100638991
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid (CID 84748660) is 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid is CC(C)c1ccc(C(C(=O)O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid?
The InChIKey is GWXKZBRHUCCFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)10-4-6-11(7-5-10)13(14(18)19)15(3)8-12(16)17/h4-7,9,13H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid?
2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 84748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).