2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid

C14H21NO3 — CID 43619594

IUPAC2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-9-14(2,13(16)17)15-10-11-5-7-12(18-3)8-6-11/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFZPXFNYWXKYTIZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid

2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid (PubChem CID 43619594) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
PubChem CID43619594
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-9-14(2,13(16)17)15-10-11-5-7-12(18-3)8-6-11/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyFZPXFNYWXKYTIZ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
methyl (2R)-3-fluoro-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979816
2-[(3-chloro-4-hydroxyphenyl)methylamino]-2-methylpentanoic acid
CID 65055884
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 62833195
methyl (2R)-3-cyano-2-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 100979814
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61340673
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid (CID 43619594) is 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid?
The InChIKey is FZPXFNYWXKYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-14(2,13(16)17)15-10-11-5-7-12(18-3)8-6-11/h5-8,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid?
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).