2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid

C14H19NO4 — CID 21131513

IUPAC2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
SMILESCC(C)(C)c1cccc(N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-14(2,3)10-5-4-6-11(7-10)15(8-12(16)17)9-13(18)19/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGSXVAOZRBKUONF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds5

About 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid

2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid (PubChem CID 21131513) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
PubChem CID21131513
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
SMILESCC(C)(C)c1cccc(N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-14(2,3)10-5-4-6-11(7-10)15(8-12(16)17)9-13(18)19/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGSXVAOZRBKUONF-UHFFFAOYSA-N
XLogP1.96
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
2-[N-(2-aminoethyl)-3-(trifluoromethyl)anilino]acetic acid
CID 117013527
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
CID 59212023
N-(3-tert-butylphenyl)-2-hydroxy-N-methylacetamide
CID 142093725
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-[N-(carboxymethyl)-3-chloroanilino]acetate
CID 58908246
2-(3-methyl-N-propylanilino)acetic acid
CID 83559836
2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60839780
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid?
The IUPAC name of 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid (CID 21131513) is 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid.
What is the SMILES notation for 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid?
The canonical SMILES for 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid is CC(C)(C)c1cccc(N(CC(=O)O)CC(=O)O)c1.
What is the InChIKey of 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid?
The InChIKey is GSXVAOZRBKUONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)10-5-4-6-11(7-10)15(8-12(16)17)9-13(18)19/h4-7H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid?
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid is sourced from PubChem (CID 21131513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).