(2-amino-4-methoxyphenyl) propanoate

C10H13NO3 — CID 163982026

IUPAC(2-amino-4-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(OC)cc1N
InChIInChI=1S/C10H13NO3/c1-3-10(12)14-9-5-4-7(13-2)6-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeySZFWSNAVYCKGJG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.59
Rot. Bonds3

About (2-amino-4-methoxyphenyl) propanoate

(2-amino-4-methoxyphenyl) propanoate (PubChem CID 163982026) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl) propanoate.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl) propanoate
PubChem CID163982026
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2-amino-4-methoxyphenyl) propanoate
SMILESCCC(=O)Oc1ccc(OC)cc1N
InChIInChI=1S/C10H13NO3/c1-3-10(12)14-9-5-4-7(13-2)6-8(9)11/h4-6H,3,11H2,1-2H3
InChIKeySZFWSNAVYCKGJG-UHFFFAOYSA-N
XLogP1.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diaminophenyl) propanoate
CID 89154714
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
[4-methoxy-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032024
(4-iodo-2-methoxyphenyl) propanoate
CID 129282160
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl) propanoate?
The IUPAC name of (2-amino-4-methoxyphenyl) propanoate (CID 163982026) is (2-amino-4-methoxyphenyl) propanoate.
What is the SMILES notation for (2-amino-4-methoxyphenyl) propanoate?
The canonical SMILES for (2-amino-4-methoxyphenyl) propanoate is CCC(=O)Oc1ccc(OC)cc1N.
What is the InChIKey of (2-amino-4-methoxyphenyl) propanoate?
The InChIKey is SZFWSNAVYCKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-10(12)14-9-5-4-7(13-2)6-8(9)11/h4-6H,3,11H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl) propanoate?
(2-amino-4-methoxyphenyl) propanoate has a molecular weight of 195.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl) propanoate is sourced from PubChem (CID 163982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).