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

C13H17N3O4 — CID 66435665

IUPAC2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ccncc1NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-9-2-3-14-7-11(9)15-13(19)16-4-5-20-10(8-16)6-12(17)18/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPWRWWJLXLWJZQW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.10
Rot. Bonds3

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

2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435665) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435665
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ccncc1NC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H17N3O4/c1-9-2-3-14-7-11(9)15-13(19)16-4-5-20-10(8-16)6-12(17)18/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyPWRWWJLXLWJZQW-UHFFFAOYSA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435865
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 63327650
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
N-(4-methyl-3-pyridinyl)-2-azaspiro[3.4]octane-2-carboxamide
CID 146089930
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66435665) is 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid is Cc1ccncc1NC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is PWRWWJLXLWJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-2-3-14-7-11(9)15-13(19)16-4-5-20-10(8-16)6-12(17)18/h2-3,7,10H,4-6,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).