5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid

C14H18N2O5 — CID 104959655

IUPAC5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
SMILESC[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)O)c2)C[C@H](C)O1
InChIInChI=1S/C14H18N2O5/c1-8-6-16(7-9(2)21-8)14(20)15-10-3-4-12(17)11(5-10)13(18)19/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,20)(H,18,19)/t8-,9+
InChIKeyNCKJTQWDTPDPFJ-DTORHVGOSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds2

About 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid

5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 104959655) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
PubChem CID104959655
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
SMILESC[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)O)c2)C[C@H](C)O1
InChIInChI=1S/C14H18N2O5/c1-8-6-16(7-9(2)21-8)14(20)15-10-3-4-12(17)11(5-10)13(18)19/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,20)(H,18,19)/t8-,9+
InChIKeyNCKJTQWDTPDPFJ-DTORHVGOSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66369326
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid
CID 4974400
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 108895345
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid (CID 104959655) is 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid is C[C@@H]1CN(C(=O)Nc2ccc(O)c(C(=O)O)c2)C[C@H](C)O1.
What is the InChIKey of 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is NCKJTQWDTPDPFJ-DTORHVGOSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8-6-16(7-9(2)21-8)14(20)15-10-3-4-12(17)11(5-10)13(18)19/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,20)(H,18,19)/t8-,9+.
What are the key properties of 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid?
5-[[(2R,6S)-2,6-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 5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104959655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).