2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid

C15H22N2O4 — CID 102745112

IUPAC2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
SMILESCC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O4/c1-14(2)9-17(10-15(3,4)21-14)13(20)11-6-5-7-16(11)8-12(18)19/h5-7H,8-10H2,1-4H3,(H,18,19)
InChIKeyZBMFQUCGWPMWRP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid

2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid (PubChem CID 102745112) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
PubChem CID102745112
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
SMILESCC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(C)(C)O1
InChIInChI=1S/C15H22N2O4/c1-14(2)9-17(10-15(3,4)21-14)13(20)11-6-5-7-16(11)8-12(18)19/h5-7H,8-10H2,1-4H3,(H,18,19)
InChIKeyZBMFQUCGWPMWRP-UHFFFAOYSA-N
XLogP1.60
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid (CID 102745112) is 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid is CC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid?
The InChIKey is ZBMFQUCGWPMWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2)9-17(10-15(3,4)21-14)13(20)11-6-5-7-16(11)8-12(18)19/h5-7H,8-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid?
2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 102745112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).