2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid

C14H19NO4 — CID 150696668

IUPAC2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
SMILESCCc1c(CC(=O)O)cc(CC(=O)O)c(CC)c1N
InChIInChI=1S/C14H19NO4/c1-3-10-8(6-12(16)17)5-9(7-13(18)19)11(4-2)14(10)15/h5H,3-4,6-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJKZKKSWJRVPVET-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.65
Rot. Bonds6

About 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid

2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid (PubChem CID 150696668) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
PubChem CID150696668
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
SMILESCCc1c(CC(=O)O)cc(CC(=O)O)c(CC)c1N
InChIInChI=1S/C14H19NO4/c1-3-10-8(6-12(16)17)5-9(7-13(18)19)11(4-2)14(10)15/h5H,3-4,6-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJKZKKSWJRVPVET-UHFFFAOYSA-N
XLogP1.65
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
2,3,6-triethylaniline
CID 21412862
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
3,4-diethyl-6-methylbenzene-1,2-diamine
CID 3018588
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
2-(2-ethyl-3-hydrazinylphenyl)acetic acid
CID 131001227
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
5-[bis(4-amino-3,5-diethylphenyl)methyl]-2,4,6-triethylbenzene-1,3-diamine
CID 87865367
potassium 2-(4-amino-3,5-diiodophenyl)acetic acid
CID 54609109
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid?
The IUPAC name of 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid (CID 150696668) is 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid is CCc1c(CC(=O)O)cc(CC(=O)O)c(CC)c1N.
What is the InChIKey of 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid?
The InChIKey is JKZKKSWJRVPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10-8(6-12(16)17)5-9(7-13(18)19)11(4-2)14(10)15/h5H,3-4,6-7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid?
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid is sourced from PubChem (CID 150696668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).