2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid

C13H17N3O4 — CID 66435865

IUPAC2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C(=O)N1CCOC(CC(=O)O)C1)c1cccnc1
InChIInChI=1S/C13H17N3O4/c1-15(10-3-2-4-14-8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h2-4,8,11H,5-7,9H2,1H3,(H,17,18)
InChIKeyXUJVTJFKOOTBTF-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.81
Rot. Bonds3

About 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435865) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435865
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(C(=O)N1CCOC(CC(=O)O)C1)c1cccnc1
InChIInChI=1S/C13H17N3O4/c1-15(10-3-2-4-14-8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h2-4,8,11H,5-7,9H2,1H3,(H,17,18)
InChIKeyXUJVTJFKOOTBTF-UHFFFAOYSA-N
XLogP0.81
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-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

2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836
2-[4-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]morpholin-2-yl]acetic acid
CID 120527570
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116
2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 120527790
2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435031
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid (CID 66435865) is 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid is CN(C(=O)N1CCOC(CC(=O)O)C1)c1cccnc1.
What is the InChIKey of 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is XUJVTJFKOOTBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15(10-3-2-4-14-8-10)13(19)16-5-6-20-11(9-16)7-12(17)18/h2-4,8,11H,5-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).