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

C13H19NO3 — CID 66097523

IUPAC4-amino-3-(2-methoxyphenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-3-11(14)10(8-13(15)16)9-6-4-5-7-12(9)17-2/h4-7,10-11H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyAFXDHKJRCGUOHF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds6

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

4-amino-3-(2-methoxyphenyl)hexanoic acid (PubChem CID 66097523) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-(2-methoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-methoxyphenyl)hexanoic acid
PubChem CID66097523
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-amino-3-(2-methoxyphenyl)hexanoic acid
SMILESCCC(N)C(CC(=O)O)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-3-11(14)10(8-13(15)16)9-6-4-5-7-12(9)17-2/h4-7,10-11H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyAFXDHKJRCGUOHF-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494
4-amino-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 66098371
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544
4-amino-3-(2-cyclopropylphenyl)hexanoic acid
CID 79982337
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
4-amino-3-(3-chloro-2-fluorophenyl)hexanoic acid
CID 114489142
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
methyl 2-[2-amino-1-(2-methoxyphenyl)butyl]sulfanylacetate
CID 55021558
(3R)-3-amino-3-(3-methoxy-2-propoxyphenyl)propanoic acid
CID 9152418
3-(2-methoxyphenyl)-3-triphenylgermylpropanoic acid
CID 15180324
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methoxyphenyl)hexanoic acid?
The IUPAC name of 4-amino-3-(2-methoxyphenyl)hexanoic acid (CID 66097523) is 4-amino-3-(2-methoxyphenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(2-methoxyphenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-(2-methoxyphenyl)hexanoic acid is CCC(N)C(CC(=O)O)c1ccccc1OC.
What is the InChIKey of 4-amino-3-(2-methoxyphenyl)hexanoic acid?
The InChIKey is AFXDHKJRCGUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-11(14)10(8-13(15)16)9-6-4-5-7-12(9)17-2/h4-7,10-11H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-(2-methoxyphenyl)hexanoic acid?
4-amino-3-(2-methoxyphenyl)hexanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methoxyphenyl)hexanoic acid is sourced from PubChem (CID 66097523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).