2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid

C14H21NO3 — CID 69269480

IUPAC2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
SMILESCCC(CC(CN)C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-10(7-12(9-15)14(16)17)11-5-4-6-13(8-11)18-2/h4-6,8,10,12H,3,7,9,15H2,1-2H3,(H,16,17)
InChIKeyJZVXAABSDXUUSY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds7

About 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid

2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid (PubChem CID 69269480) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
PubChem CID69269480
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
SMILESCCC(CC(CN)C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-10(7-12(9-15)14(16)17)11-5-4-6-13(8-11)18-2/h4-6,8,10,12H,3,7,9,15H2,1-2H3,(H,16,17)
InChIKeyJZVXAABSDXUUSY-UHFFFAOYSA-N
XLogP2.24
TPSA72.55 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methoxyphenyl)heptane-2,3-diol
CID 83928989
2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
CID 175245941
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid
CID 70551832
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid?
The IUPAC name of 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid (CID 69269480) is 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid is CCC(CC(CN)C(=O)O)c1cccc(OC)c1.
What is the InChIKey of 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid?
The InChIKey is JZVXAABSDXUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-10(7-12(9-15)14(16)17)11-5-4-6-13(8-11)18-2/h4-6,8,10,12H,3,7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid?
2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid is sourced from PubChem (CID 69269480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).