2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid

C14H17NO5 — CID 102932282

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
SMILESCC1CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C14H17NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-5,9-10,16H,6-8H2,1H3,(H,18,19)
InChIKeySOMIARDTUALFGY-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.61
Rot. Bonds3

About 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid (PubChem CID 102932282) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
PubChem CID102932282
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
SMILESCC1CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1
InChIInChI=1S/C14H17NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-5,9-10,16H,6-8H2,1H3,(H,18,19)
InChIKeySOMIARDTUALFGY-UHFFFAOYSA-N
XLogP0.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
(2-bromo-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932978
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
(2-hydroxy-5-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103037651
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid (CID 102932282) is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid is CC1CN(C(=O)c2ccccc2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid?
The InChIKey is SOMIARDTUALFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-5,9-10,16H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid?
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid has a molecular weight of 279.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid is sourced from PubChem (CID 102932282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).