methyl 2-(4-aminophenyl)propanoate

C10H13NO2 — CID 3016109

IUPACmethyl 2-(4-aminophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C10H13NO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3
InChIKeyJSQLPIGKVBUMBF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.55
Rot. Bonds2

About methyl 2-(4-aminophenyl)propanoate

methyl 2-(4-aminophenyl)propanoate (PubChem CID 3016109) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)propanoate
PubChem CID3016109
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl 2-(4-aminophenyl)propanoate
SMILESCOC(=O)C(C)c1ccc(N)cc1
InChIInChI=1S/C10H13NO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3
InChIKeyJSQLPIGKVBUMBF-UHFFFAOYSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-4-methylpentan-3-one
CID 130817118
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
CID 25020809
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
methyl 4,4-bis(4-aminophenyl)-2-methylbutanoate
CID 70366477
methyl 2-[4-(1-cyano-2-methylpropyl)phenyl]propanoate
CID 134840373
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)propanoate?
The IUPAC name of methyl 2-(4-aminophenyl)propanoate (CID 3016109) is methyl 2-(4-aminophenyl)propanoate.
What is the SMILES notation for methyl 2-(4-aminophenyl)propanoate?
The canonical SMILES for methyl 2-(4-aminophenyl)propanoate is COC(=O)C(C)c1ccc(N)cc1.
What is the InChIKey of methyl 2-(4-aminophenyl)propanoate?
The InChIKey is JSQLPIGKVBUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3.
What are the key properties of methyl 2-(4-aminophenyl)propanoate?
methyl 2-(4-aminophenyl)propanoate has a molecular weight of 179.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)propanoate is sourced from PubChem (CID 3016109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).