2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid

C15H23NO3 — CID 79269116

IUPAC2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
SMILESCc1cccc(OCCN(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-12-6-5-7-13(10-12)19-9-8-16(11-14(17)18)15(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18)
InChIKeyMWVDDTZLGJKBJG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.56
Rot. Bonds6

About 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid

2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid (PubChem CID 79269116) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
PubChem CID79269116
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
SMILESCc1cccc(OCCN(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-12-6-5-7-13(10-12)19-9-8-16(11-14(17)18)15(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18)
InChIKeyMWVDDTZLGJKBJG-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
3-[tert-butyl-[2-(3,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 60833997
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid
CID 119194710
2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
CID 62819149
3-[butyl-[2-(3-methylphenoxy)ethyl]amino]propanoic acid
CID 82329411
2-[methyl-(3-methylphenoxy)carbonylamino]acetic acid
CID 116819537
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid (CID 79269116) is 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid is Cc1cccc(OCCN(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid?
The InChIKey is MWVDDTZLGJKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-6-5-7-13(10-12)19-9-8-16(11-14(17)18)15(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid?
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 79269116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).