2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid

C14H21NO4 — CID 175245941

IUPAC2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
SMILESCCC(CC(N)C(=O)O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-9(7-13(15)14(16)17)10-5-11(18-2)8-12(6-10)19-3/h5-6,8-9,13H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyHSDUVFSIOGDPCS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid

2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid (PubChem CID 175245941) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
PubChem CID175245941
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Name2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
SMILESCCC(CC(N)C(=O)O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-9(7-13(15)14(16)17)10-5-11(18-2)8-12(6-10)19-3/h5-6,8-9,13H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyHSDUVFSIOGDPCS-UHFFFAOYSA-N
XLogP2.00
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
CID 69269480
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909
2-amino-4-(2,5-dihydroxyphenyl)hexanoic acid
CID 174512800
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840
2-(3,5-dimethoxyphenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63689435

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid?
The IUPAC name of 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid (CID 175245941) is 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid.
What is the SMILES notation for 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid?
The canonical SMILES for 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid is CCC(CC(N)C(=O)O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid?
The InChIKey is HSDUVFSIOGDPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-9(7-13(15)14(16)17)10-5-11(18-2)8-12(6-10)19-3/h5-6,8-9,13H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid?
2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid is sourced from PubChem (CID 175245941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).