2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid

C15H21N3O4 — CID 118796116

IUPAC2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
SMILESCN(CC(=O)N1CCOCC1CC(=O)O)Cc1ccccn1
InChIInChI=1S/C15H21N3O4/c1-17(9-12-4-2-3-5-16-12)10-14(19)18-6-7-22-11-13(18)8-15(20)21/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyNVABWBVDBGOLRQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.22
Rot. Bonds6

About 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid

2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid (PubChem CID 118796116) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
PubChem CID118796116
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
SMILESCN(CC(=O)N1CCOCC1CC(=O)O)Cc1ccccn1
InChIInChI=1S/C15H21N3O4/c1-17(9-12-4-2-3-5-16-12)10-14(19)18-6-7-22-11-13(18)8-15(20)21/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyNVABWBVDBGOLRQ-UHFFFAOYSA-N
XLogP0.22
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 70723407
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 129469907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid (CID 118796116) is 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid is CN(CC(=O)N1CCOCC1CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid?
The InChIKey is NVABWBVDBGOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-17(9-12-4-2-3-5-16-12)10-14(19)18-6-7-22-11-13(18)8-15(20)21/h2-5,13H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid?
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 118796116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).