5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid

C15H23NO5 — CID 62942194

IUPAC5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(N)CC(C)CC(=O)O)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-9(8-13(17)18)7-11(16)10-5-6-12(19-2)15(21-4)14(10)20-3/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyOBEMYCRNKPBGSE-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.21
Rot. Bonds8

About 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid

5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid (PubChem CID 62942194) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
PubChem CID62942194
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(N)CC(C)CC(=O)O)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-9(8-13(17)18)7-11(16)10-5-6-12(19-2)15(21-4)14(10)20-3/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyOBEMYCRNKPBGSE-UHFFFAOYSA-N
XLogP2.21
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic 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

(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
3-amino-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117350574
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
3-(dimethylamino)-3-(2,3,4-trimethoxyphenyl)propanoic acid
CID 64528349
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
CID 62941644
(3R)-3-formamido-3-(2,3,4-trimethoxyphenyl)propanoic acid
CID 78961815
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
CID 113425500
3-amino-3-(4-formyl-2,3-dimethoxyphenyl)propanoic acid
CID 117385433
3-amino-3-(7-methoxy-1-benzothiophen-4-yl)propanoic acid
CID 117381131

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid?
The IUPAC name of 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid (CID 62942194) is 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid?
The canonical SMILES for 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid is COc1ccc(C(N)CC(C)CC(=O)O)c(OC)c1OC.
What is the InChIKey of 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid?
The InChIKey is OBEMYCRNKPBGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-9(8-13(17)18)7-11(16)10-5-6-12(19-2)15(21-4)14(10)20-3/h5-6,9,11H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid?
5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid is sourced from PubChem (CID 62942194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).