4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C14H20N2O5 — CID 102934038

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H20N2O5/c1-7-4-16(5-10(6-17)21-7)13(18)11-8(2)12(14(19)20)15-9(11)3/h7,10,15,17H,4-6H2,1-3H3,(H,19,20)
InChIKeyUODIENMTTXPNLC-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.55
Rot. Bonds3

About 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 102934038) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID102934038
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1C(=O)N1CC(C)OC(CO)C1
InChIInChI=1S/C14H20N2O5/c1-7-4-16(5-10(6-17)21-7)13(18)11-8(2)12(14(19)20)15-9(11)3/h7,10,15,17H,4-6H2,1-3H3,(H,19,20)
InChIKeyUODIENMTTXPNLC-UHFFFAOYSA-N
XLogP0.55
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxypyrrolidine-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 103536826
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
(4,5-dibromothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932957
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
1-[2,4-dimethyl-5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 94812298

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 102934038) is 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CC(C)OC(CO)C1.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is UODIENMTTXPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-7-4-16(5-10(6-17)21-7)13(18)11-8(2)12(14(19)20)15-9(11)3/h7,10,15,17H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 102934038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).