3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid

C14H19N3O4 — CID 115935490

IUPAC3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
SMILESCCNC(=O)C1COCCN1c1c(N)cccc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-16-13(18)11-8-21-7-6-17(11)12-9(14(19)20)4-3-5-10(12)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyHLNCONXSTYYHTQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.31
Rot. Bonds4

About 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid

3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid (PubChem CID 115935490) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid.

Molecular Properties

Compound Name3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
PubChem CID115935490
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
SMILESCCNC(=O)C1COCCN1c1c(N)cccc1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-2-16-13(18)11-8-21-7-6-17(11)12-9(14(19)20)4-3-5-10(12)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyHLNCONXSTYYHTQ-UHFFFAOYSA-N
XLogP0.31
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid?
The IUPAC name of 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid (CID 115935490) is 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid.
What is the SMILES notation for 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid?
The canonical SMILES for 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid is CCNC(=O)C1COCCN1c1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid?
The InChIKey is HLNCONXSTYYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-16-13(18)11-8-21-7-6-17(11)12-9(14(19)20)4-3-5-10(12)15/h3-5,11H,2,6-8,15H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid?
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid is sourced from PubChem (CID 115935490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).