4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 61428586

IUPAC4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2)8-21-6-5-16(14)13(20)15-9-3-4-10(12(18)19)11(17)7-9/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyLKUNAHRXHJSURE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds2

About 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 61428586) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID61428586
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O5/c1-14(2)8-21-6-5-16(14)13(20)15-9-3-4-10(12(18)19)11(17)7-9/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyLKUNAHRXHJSURE-UHFFFAOYSA-N
XLogP1.73
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63218632
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
4-bromo-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61428540
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
CID 61428602
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
5-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63219066
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid (CID 61428586) is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid is CC1(C)COCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is LKUNAHRXHJSURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2)8-21-6-5-16(14)13(20)15-9-3-4-10(12(18)19)11(17)7-9/h3-4,7,17H,5-6,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 61428586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).