2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid

C13H22N2O4 — CID 62691356

IUPAC2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
SMILESCC1COCCN1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-6-5-15(10)13(18)14-4-2-3-11(8-14)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyMRJVYUGAAZUICL-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds2

About 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid

2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62691356) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62691356
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
SMILESCC1COCCN1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-6-5-15(10)13(18)14-4-2-3-11(8-14)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyMRJVYUGAAZUICL-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid (CID 62691356) is 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid is CC1COCCN1C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is MRJVYUGAAZUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-9-19-6-5-15(10)13(18)14-4-2-3-11(8-14)7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).