3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid

C19H23N3O3 — CID 110113863

IUPAC3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
SMILESNc1cc(CCC2CN(Cc3cccc(C(=O)O)c3)CCO2)ccn1
InChIInChI=1S/C19H23N3O3/c20-18-11-14(6-7-21-18)4-5-17-13-22(8-9-25-17)12-15-2-1-3-16(10-15)19(23)24/h1-3,6-7,10-11,17H,4-5,8-9,12-13H2,(H2,20,21)(H,23,24)
InChIKeyQHRZLWOJZUXKBA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.20
Rot. Bonds6

About 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid

3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid (PubChem CID 110113863) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
PubChem CID110113863
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid
SMILESNc1cc(CCC2CN(Cc3cccc(C(=O)O)c3)CCO2)ccn1
InChIInChI=1S/C19H23N3O3/c20-18-11-14(6-7-21-18)4-5-17-13-22(8-9-25-17)12-15-2-1-3-16(10-15)19(23)24/h1-3,6-7,10-11,17H,4-5,8-9,12-13H2,(H2,20,21)(H,23,24)
InChIKeyQHRZLWOJZUXKBA-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

Analyze 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid with MolForge

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Related Compounds

2-[3-[[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]phenoxy]ethanol
CID 124963457
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
3-[[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 124998880
2-[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-N,N-dimethylacetamide
CID 124957231
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113890
4-[2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 125022970
4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113875
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110113905
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid (CID 110113863) is 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid is Nc1cc(CCC2CN(Cc3cccc(C(=O)O)c3)CCO2)ccn1.
What is the InChIKey of 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
The InChIKey is QHRZLWOJZUXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-18-11-14(6-7-21-18)4-5-17-13-22(8-9-25-17)12-15-2-1-3-16(10-15)19(23)24/h1-3,6-7,10-11,17H,4-5,8-9,12-13H2,(H2,20,21)(H,23,24).
What are the key properties of 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid?
3-[[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 3-[[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 110113863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).