ethyl 4-aminobenzoate;ethyl 3-aminopropanoate

C14H22N2O4 — CID 159822320

IUPACethyl 4-aminobenzoate;ethyl 3-aminopropanoate
SMILESCCOC(=O)CCN.CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO2.C5H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-8-5(7)3-4-6/h3-6H,2,10H2,1H3;2-4,6H2,1H3
InChIKeyNMJZCOIJHGXCKU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.34
Rot. Bonds5

About ethyl 4-aminobenzoate;ethyl 3-aminopropanoate

ethyl 4-aminobenzoate;ethyl 3-aminopropanoate (PubChem CID 159822320) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-aminobenzoate;ethyl 3-aminopropanoate.

Molecular Properties

Compound Nameethyl 4-aminobenzoate;ethyl 3-aminopropanoate
PubChem CID159822320
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 4-aminobenzoate;ethyl 3-aminopropanoate
SMILESCCOC(=O)CCN.CCOC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H11NO2.C5H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-8-5(7)3-4-6/h3-6H,2,10H2,1H3;2-4,6H2,1H3
InChIKeyNMJZCOIJHGXCKU-UHFFFAOYSA-N
XLogP1.34
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminobenzoate;ethyl 3-aminopropanoate?
The IUPAC name of ethyl 4-aminobenzoate;ethyl 3-aminopropanoate (CID 159822320) is ethyl 4-aminobenzoate;ethyl 3-aminopropanoate.
What is the SMILES notation for ethyl 4-aminobenzoate;ethyl 3-aminopropanoate?
The canonical SMILES for ethyl 4-aminobenzoate;ethyl 3-aminopropanoate is CCOC(=O)CCN.CCOC(=O)c1ccc(N)cc1.
What is the InChIKey of ethyl 4-aminobenzoate;ethyl 3-aminopropanoate?
The InChIKey is NMJZCOIJHGXCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7;1-2-8-5(7)3-4-6/h3-6H,2,10H2,1H3;2-4,6H2,1H3.
What are the key properties of ethyl 4-aminobenzoate;ethyl 3-aminopropanoate?
ethyl 4-aminobenzoate;ethyl 3-aminopropanoate has a molecular weight of 282.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobenzoate;ethyl 3-aminopropanoate is sourced from PubChem (CID 159822320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).