methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate

C13H19NO3 — CID 82351379

IUPACmethyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
SMILESCOC(=O)CC(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(16-2)10(6-9)7-11(14)8-13(15)17-3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyBCVQPIYMAQLDTO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds5

About methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate

methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate (PubChem CID 82351379) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
PubChem CID82351379
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
SMILESCOC(=O)CC(N)Cc1cc(C)ccc1OC
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(16-2)10(6-9)7-11(14)8-13(15)17-3/h4-6,11H,7-8,14H2,1-3H3
InChIKeyBCVQPIYMAQLDTO-UHFFFAOYSA-N
XLogP1.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate 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

1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
3-hydroxy-4-(2-methoxy-5-methylphenyl)butanoic acid
CID 82080605
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281
methyl 3-(2-methoxy-4-methylphenoxy)butanoate
CID 43536054
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
methyl 4-amino-5-(2-hydroxy-5-methylphenyl)pentanoate
CID 63322956
methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
3-amino-1-(2-methoxy-5-methylphenyl)-4,4-dimethylpentan-2-one
CID 116611554

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate?
The IUPAC name of methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate (CID 82351379) is methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate.
What is the SMILES notation for methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate?
The canonical SMILES for methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate is COC(=O)CC(N)Cc1cc(C)ccc1OC.
What is the InChIKey of methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate?
The InChIKey is BCVQPIYMAQLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-12(16-2)10(6-9)7-11(14)8-13(15)17-3/h4-6,11H,7-8,14H2,1-3H3.
What are the key properties of methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate?
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate is sourced from PubChem (CID 82351379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).