5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid

C18H19NO5 — CID 129415204

IUPAC5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
SMILESCc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@@H](C)CO1
InChIInChI=1S/C18H19NO5/c1-11-5-3-4-6-13(11)16-9-19(12(2)10-23-16)17(20)14-7-8-15(24-14)18(21)22/h3-8,12,16H,9-10H2,1-2H3,(H,21,22)/t12-,16+/m0/s1
InChIKeyPOEBQOAUTYLQDZ-BLLLJJGKSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds3

About 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid

5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid (PubChem CID 129415204) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
PubChem CID129415204
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid
SMILESCc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@@H](C)CO1
InChIInChI=1S/C18H19NO5/c1-11-5-3-4-6-13(11)16-9-19(12(2)10-23-16)17(20)14-7-8-15(24-14)18(21)22/h3-8,12,16H,9-10H2,1-2H3,(H,21,22)/t12-,16+/m0/s1
InChIKeyPOEBQOAUTYLQDZ-BLLLJJGKSA-N
XLogP2.89
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
5-methoxy-2-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]pyran-4-one
CID 124873677
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 119798504
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
CID 119798520
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71999082
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid (CID 129415204) is 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid is Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@@H](C)CO1.
What is the InChIKey of 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid?
The InChIKey is POEBQOAUTYLQDZ-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-5-3-4-6-13(11)16-9-19(12(2)10-23-16)17(20)14-7-8-15(24-14)18(21)22/h3-8,12,16H,9-10H2,1-2H3,(H,21,22)/t12-,16+/m0/s1.
What are the key properties of 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid?
5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]furan-2-carboxylic acid is sourced from PubChem (CID 129415204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).