2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid

C15H23NO3 — CID 43619758

IUPAC2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccccc1OCC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(3,14(17)18)16-11-12-8-6-7-9-13(12)19-5-2/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyNRYJYWRCKMFCCD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.82
Rot. Bonds8

About 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid

2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid (PubChem CID 43619758) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
PubChem CID43619758
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccccc1OCC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(3,14(17)18)16-11-12-8-6-7-9-13(12)19-5-2/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyNRYJYWRCKMFCCD-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
2-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpentanoic acid
CID 114489048
2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
CID 65055742
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
CID 65055782
2-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119192194
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid (CID 43619758) is 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1ccccc1OCC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid?
The InChIKey is NRYJYWRCKMFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-15(3,14(17)18)16-11-12-8-6-7-9-13(12)19-5-2/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid?
2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).