2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid

C13H20N2O4 — CID 114172612

IUPAC2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCC1=CCCN(C(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-10-3-2-4-14(8-10)13(18)15-5-6-19-9-11(15)7-12(16)17/h3,11H,2,4-9H2,1H3,(H,16,17)
InChIKeySZPBGZKZYFWBLO-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.93
Rot. Bonds2

About 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid

2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 114172612) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
PubChem CID114172612
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCC1=CCCN(C(=O)N2CCOCC2CC(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-10-3-2-4-14(8-10)13(18)15-5-6-19-9-11(15)7-12(16)17/h3,11H,2,4-9H2,1H3,(H,16,17)
InChIKeySZPBGZKZYFWBLO-UHFFFAOYSA-N
XLogP0.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid (CID 114172612) is 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid is CC1=CCCN(C(=O)N2CCOCC2CC(=O)O)C1.
What is the InChIKey of 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is SZPBGZKZYFWBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10-3-2-4-14(8-10)13(18)15-5-6-19-9-11(15)7-12(16)17/h3,11H,2,4-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 114172612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).