2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid

C17H19NO4 — CID 175286928

IUPAC2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid
SMILESO=C(O)C(O)Cc1ccc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H19NO4/c19-16(17(20)21)11-12-5-6-15(18-7-9-22-10-8-18)14-4-2-1-3-13(12)14/h1-6,16,19H,7-11H2,(H,20,21)
InChIKeyYEZFLYNPQPREJL-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.66
Rot. Bonds4

About 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid

2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid (PubChem CID 175286928) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid
PubChem CID175286928
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid
SMILESO=C(O)C(O)Cc1ccc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H19NO4/c19-16(17(20)21)11-12-5-6-15(18-7-9-22-10-8-18)14-4-2-1-3-13(12)14/h1-6,16,19H,7-11H2,(H,20,21)
InChIKeyYEZFLYNPQPREJL-UHFFFAOYSA-N
XLogP1.66
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butylnaphthalen-1-yl)morpholine
CID 135021115
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
CID 87307439
(E)-3-(4-morpholin-4-ylnaphthalen-1-yl)prop-2-enoic acid
CID 122703391
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
[(2R)-3-(4-morpholin-4-ylnaphthalen-1-yl)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-5-fluoro-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 155282490
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid (CID 175286928) is 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid is O=C(O)C(O)Cc1ccc(N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid?
The InChIKey is YEZFLYNPQPREJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-16(17(20)21)11-12-5-6-15(18-7-9-22-10-8-18)14-4-2-1-3-13(12)14/h1-6,16,19H,7-11H2,(H,20,21).
What are the key properties of 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid?
2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid has a molecular weight of 301.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 175286928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).