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

C14H20N2O5 — CID 114778133

IUPAC2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
SMILESCC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(CO)O1
InChIInChI=1S/C14H20N2O5/c1-14(2)9-16(6-10(8-17)21-14)13(20)11-4-3-5-15(11)7-12(18)19/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyGNRRTBVWAMJDSV-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.18
Rot. Bonds4

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

2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid (PubChem CID 114778133) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
PubChem CID114778133
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
SMILESCC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(CO)O1
InChIInChI=1S/C14H20N2O5/c1-14(2)9-16(6-10(8-17)21-14)13(20)11-4-3-5-15(11)7-12(18)19/h3-5,10,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyGNRRTBVWAMJDSV-UHFFFAOYSA-N
XLogP0.18
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
CID 102745112
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
(1,5-dimethylpyrrol-2-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778641
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 114777165
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-sulfanylphenyl)methanone
CID 107036511
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(2-chloro-5-sulfanylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107036506
(2-bromo-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777044
(4-ethylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778923
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid (CID 114778133) is 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid is CC1(C)CN(C(=O)c2cccn2CC(=O)O)CC(CO)O1.
What is the InChIKey of 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid?
The InChIKey is GNRRTBVWAMJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2)9-16(6-10(8-17)21-14)13(20)11-4-3-5-15(11)7-12(18)19/h3-5,10,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid?
2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 114778133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).