2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid

C15H23NO3 — CID 61342159

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-8-15(2,14(17)18)16-10-12-6-5-7-13(9-12)11-19-3/h5-7,9,16H,4,8,10-11H2,1-3H3,(H,17,18)
InChIKeyAFLYAYOCNKSQPP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds8

About 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid

2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid (PubChem CID 61342159) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
PubChem CID61342159
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1cccc(COC)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-8-15(2,14(17)18)16-10-12-6-5-7-13(9-12)11-19-3/h5-7,9,16H,4,8,10-11H2,1-3H3,(H,17,18)
InChIKeyAFLYAYOCNKSQPP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide
CID 113299102
2-methyl-2-[(3-propoxyphenyl)methylamino]pentanoic acid
CID 65055831
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
2-[(3-chloro-4-hydroxyphenyl)methylamino]-2-methylpentanoic acid
CID 65055884
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
2-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpentanoic acid
CID 83240281
2-[(2-cyano-4-pyridinyl)methylamino]-2-methylpentanoic acid
CID 63882556
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid (CID 61342159) is 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1cccc(COC)c1)C(=O)O.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid?
The InChIKey is AFLYAYOCNKSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-8-15(2,14(17)18)16-10-12-6-5-7-13(9-12)11-19-3/h5-7,9,16H,4,8,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid?
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 61342159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).