(2-methoxy-4-methylphenyl) 3-aminopropanoate

C11H15NO3 — CID 94256158

IUPAC(2-methoxy-4-methylphenyl) 3-aminopropanoate
SMILESCOc1cc(C)ccc1OC(=O)CCN
InChIInChI=1S/C11H15NO3/c1-8-3-4-9(10(7-8)14-2)15-11(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBNIOJKSSHKQAGZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.26
Rot. Bonds4

About (2-methoxy-4-methylphenyl) 3-aminopropanoate

(2-methoxy-4-methylphenyl) 3-aminopropanoate (PubChem CID 94256158) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 3-aminopropanoate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 3-aminopropanoate
PubChem CID94256158
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2-methoxy-4-methylphenyl) 3-aminopropanoate
SMILESCOc1cc(C)ccc1OC(=O)CCN
InChIInChI=1S/C11H15NO3/c1-8-3-4-9(10(7-8)14-2)15-11(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBNIOJKSSHKQAGZ-UHFFFAOYSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-methoxy-4-methylphenyl) 3-aminopropanoate 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

(2,4-dimethylphenyl) 3-aminopropanoate
CID 82112021
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
[4-methyl-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032433
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
(2-methoxy-4-methylphenyl) 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8862828
(2-decanoyloxy-4-methylphenyl) decanoate
CID 140675700
1-O-(3-chlorophenyl) 5-O-(2-methoxy-5-methylphenyl) pentanedioate
CID 91715835

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 3-aminopropanoate?
The IUPAC name of (2-methoxy-4-methylphenyl) 3-aminopropanoate (CID 94256158) is (2-methoxy-4-methylphenyl) 3-aminopropanoate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 3-aminopropanoate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 3-aminopropanoate is COc1cc(C)ccc1OC(=O)CCN.
What is the InChIKey of (2-methoxy-4-methylphenyl) 3-aminopropanoate?
The InChIKey is BNIOJKSSHKQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-4-9(10(7-8)14-2)15-11(13)5-6-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of (2-methoxy-4-methylphenyl) 3-aminopropanoate?
(2-methoxy-4-methylphenyl) 3-aminopropanoate has a molecular weight of 209.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 3-aminopropanoate is sourced from PubChem (CID 94256158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).