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

C15H23NO3 — CID 65060900

IUPAC3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid
SMILESCCN(Cc1ccc(OC)c(C)c1)C(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-5-16(12(3)9-15(17)18)10-13-6-7-14(19-4)11(2)8-13/h6-8,12H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyLPYUWTXZDINTAT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds7

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

3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid (PubChem CID 65060900) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid
PubChem CID65060900
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid
SMILESCCN(Cc1ccc(OC)c(C)c1)C(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-5-16(12(3)9-15(17)18)10-13-6-7-14(19-4)11(2)8-13/h6-8,12H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyLPYUWTXZDINTAT-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

3-[ethyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]butanoic acid
CID 62827812
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804
2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 65061478
3-[(4-chloro-3-fluorophenyl)methyl-ethylamino]butanoic acid
CID 65060651
4-[(4-methoxy-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 115219897
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
3-[[3-(difluoromethyl)phenyl]methyl-ethylamino]butanoic acid
CID 113329340
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid (CID 65060900) is 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid is CCN(Cc1ccc(OC)c(C)c1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid?
The InChIKey is LPYUWTXZDINTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16(12(3)9-15(17)18)10-13-6-7-14(19-4)11(2)8-13/h6-8,12H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid?
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 65060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).