2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid

C15H19NO5 — CID 103429192

IUPAC2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)N2CCOC(CO)C2)c1C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-3-4-10(2)13(15(19)20)12(9)14(18)16-5-6-21-11(7-16)8-17/h3-4,11,17H,5-8H2,1-2H3,(H,19,20)
InChIKeyLWSXMVMBHOORMF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.83
Rot. Bonds3

About 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid

2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid (PubChem CID 103429192) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
PubChem CID103429192
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
SMILESCc1ccc(C)c(C(=O)N2CCOC(CO)C2)c1C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-3-4-10(2)13(15(19)20)12(9)14(18)16-5-6-21-11(7-16)8-17/h3-4,11,17H,5-8H2,1-2H3,(H,19,20)
InChIKeyLWSXMVMBHOORMF-UHFFFAOYSA-N
XLogP0.83
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
(1,5-dimethylpyrazol-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207907
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103403243
2-(3,4-dimethylpyrrolidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103429160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid (CID 103429192) is 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid is Cc1ccc(C)c(C(=O)N2CCOC(CO)C2)c1C(=O)O.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid?
The InChIKey is LWSXMVMBHOORMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-3-4-10(2)13(15(19)20)12(9)14(18)16-5-6-21-11(7-16)8-17/h3-4,11,17H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid?
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).