5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid

C19H21NO5 — CID 58067512

IUPAC5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyORHRJFVJWYTKJO-RDJZCZTQSA-N
MW343.38 g/mol
LogP2.95
Rot. Bonds5

About 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid (PubChem CID 58067512) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
PubChem CID58067512
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O
InChIInChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1
InChIKeyORHRJFVJWYTKJO-RDJZCZTQSA-N
XLogP2.95
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(3R)-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidin-3-amine
CID 59556083
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
4-(2-phenylmethoxycyclohexyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571381
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
5-O-methyl 2-O-propan-2-yl 3-methoxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-2,5-dicarboxylate
CID 129065867
trans-benzyl (1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 66881534
(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
CID 118531813

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid (CID 58067512) is 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid is O=C(O)c1cn([C@H]2CCCC[C@@H]2OCc2ccccc2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
The InChIKey is ORHRJFVJWYTKJO-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21NO5/c21-16-11-20(10-14(18(16)22)19(23)24)15-8-4-5-9-17(15)25-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2,(H,23,24)/t15-,17-/m0/s1.
What are the key properties of 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[(1S,2S)-2-phenylmethoxycyclohexyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58067512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).