4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid

C19H23N3O3 — CID 110113864

IUPAC4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
SMILESNc1cc(CCC2CN(Cc3ccc(C(=O)O)cc3)CCO2)ccn1
InChIInChI=1S/C19H23N3O3/c20-18-11-14(7-8-21-18)3-6-17-13-22(9-10-25-17)12-15-1-4-16(5-2-15)19(23)24/h1-2,4-5,7-8,11,17H,3,6,9-10,12-13H2,(H2,20,21)(H,23,24)
InChIKeyKGHGPJSBXSNCNS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.20
Rot. Bonds6

About 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid

4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid (PubChem CID 110113864) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
PubChem CID110113864
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
SMILESNc1cc(CCC2CN(Cc3ccc(C(=O)O)cc3)CCO2)ccn1
InChIInChI=1S/C19H23N3O3/c20-18-11-14(7-8-21-18)3-6-17-13-22(9-10-25-17)12-15-1-4-16(5-2-15)19(23)24/h1-2,4-5,7-8,11,17H,3,6,9-10,12-13H2,(H2,20,21)(H,23,24)
InChIKeyKGHGPJSBXSNCNS-UHFFFAOYSA-N
XLogP2.20
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid (CID 110113864) is 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid is Nc1cc(CCC2CN(Cc3ccc(C(=O)O)cc3)CCO2)ccn1.
What is the InChIKey of 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The InChIKey is KGHGPJSBXSNCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-18-11-14(7-8-21-18)3-6-17-13-22(9-10-25-17)12-15-1-4-16(5-2-15)19(23)24/h1-2,4-5,7-8,11,17H,3,6,9-10,12-13H2,(H2,20,21)(H,23,24).
What are the key properties of 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 110113864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).