(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid

C19H16N2O5 — CID 168937585

IUPAC(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@@H](O)C(=O)O)c1ncc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C19H16N2O5/c22-15-8-14(13-6-5-11-3-1-2-4-12(11)7-13)9-20-17(15)18(24)21-10-16(23)19(25)26/h1-9,16,22-23H,10H2,(H,21,24)(H,25,26)/t16-/m1/s1
InChIKeyWRXFQCGKGACBFC-MRXNPFEDSA-N
MW352.35 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid

(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 168937585) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID168937585
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@@H](O)C(=O)O)c1ncc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C19H16N2O5/c22-15-8-14(13-6-5-11-3-1-2-4-12(11)7-13)9-20-17(15)18(24)21-10-16(23)19(25)26/h1-9,16,22-23H,10H2,(H,21,24)(H,25,26)/t16-/m1/s1
InChIKeyWRXFQCGKGACBFC-MRXNPFEDSA-N
XLogP1.78
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
CID 168937798
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697
3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937715
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937623
(2S)-2-hydroxy-3-[(5-hydroxypyridine-3-carbonyl)amino]propanoic acid
CID 107833018
2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
CID 66166001
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid (CID 168937585) is (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid is O=C(NC[C@@H](O)C(=O)O)c1ncc(-c2ccc3ccccc3c2)cc1O.
What is the InChIKey of (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is WRXFQCGKGACBFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-15-8-14(13-6-5-11-3-1-2-4-12(11)7-13)9-20-17(15)18(24)21-10-16(23)19(25)26/h1-9,16,22-23H,10H2,(H,21,24)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid?
(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 352.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 168937585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).