2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid

C15H23NO3 — CID 65061478

IUPAC2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc(OC)c(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-6-16(15(3,4)14(17)18)10-12-7-8-13(19-5)11(2)9-12/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyMKUQZMMHXRGLGX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds6

About 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid (PubChem CID 65061478) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
PubChem CID65061478
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc(OC)c(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-6-16(15(3,4)14(17)18)10-12-7-8-13(19-5)11(2)9-12/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyMKUQZMMHXRGLGX-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 65061427
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
2-[ethyl-[(2,4,5-trimethylphenyl)methyl]amino]-2-methylpropanoic acid
CID 114078382
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid
CID 65060900
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-[(4-methoxy-3-methylphenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 167848707
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115175144
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid
CID 931256

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid (CID 65061478) is 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccc(OC)c(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is MKUQZMMHXRGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-16(15(3,4)14(17)18)10-12-7-8-13(19-5)11(2)9-12/h7-9H,6,10H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).