(3-methoxyphenyl) 3-aminopropanoate

C10H13NO3 — CID 94254189

IUPAC(3-methoxyphenyl) 3-aminopropanoate
SMILESCOc1cccc(OC(=O)CCN)c1
InChIInChI=1S/C10H13NO3/c1-13-8-3-2-4-9(7-8)14-10(12)5-6-11/h2-4,7H,5-6,11H2,1H3
InChIKeyRUWYMXUVKIVRNG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds4

About (3-methoxyphenyl) 3-aminopropanoate

(3-methoxyphenyl) 3-aminopropanoate (PubChem CID 94254189) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-methoxyphenyl) 3-aminopropanoate.

Molecular Properties

Compound Name(3-methoxyphenyl) 3-aminopropanoate
PubChem CID94254189
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3-methoxyphenyl) 3-aminopropanoate
SMILESCOc1cccc(OC(=O)CCN)c1
InChIInChI=1S/C10H13NO3/c1-13-8-3-2-4-9(7-8)14-10(12)5-6-11/h2-4,7H,5-6,11H2,1H3
InChIKeyRUWYMXUVKIVRNG-UHFFFAOYSA-N
XLogP0.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl) 3-aminopropanoate
CID 82111471
(3-methoxyphenyl) but-3-enoate
CID 70109431
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
(3,4-difluorophenyl) 3-aminopropanoate
CID 82112405
naphthalen-2-yl 3-aminopropanoate
CID 82113672
methyl 2-aminoacetate;bis(methyl 3-aminopropanoate);phenyl 2-aminoacetate
CID 157086326
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(3-methoxyphenyl) propaneperoxoate
CID 174743709
(3-pentanoyloxyphenyl) hexanoate
CID 91704636
[2-(3-methoxyphenoxy)-2-oxoethyl] 3-hydroxybenzoate
CID 155520332
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 3-aminopropanoate?
The IUPAC name of (3-methoxyphenyl) 3-aminopropanoate (CID 94254189) is (3-methoxyphenyl) 3-aminopropanoate.
What is the SMILES notation for (3-methoxyphenyl) 3-aminopropanoate?
The canonical SMILES for (3-methoxyphenyl) 3-aminopropanoate is COc1cccc(OC(=O)CCN)c1.
What is the InChIKey of (3-methoxyphenyl) 3-aminopropanoate?
The InChIKey is RUWYMXUVKIVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-8-3-2-4-9(7-8)14-10(12)5-6-11/h2-4,7H,5-6,11H2,1H3.
What are the key properties of (3-methoxyphenyl) 3-aminopropanoate?
(3-methoxyphenyl) 3-aminopropanoate has a molecular weight of 195.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 3-aminopropanoate is sourced from PubChem (CID 94254189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).