1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

C20H22N2O5 — CID 177338493

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCc3ccccc3C2)c1O
InChIInChI=1S/C20H22N2O5/c1-12(22-19(24)17-18(23)16(26-2)9-10-21-17)20(25)27-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,23H,7-8,11H2,1-2H3,(H,22,24)/t12-,15?/m0/s1
InChIKeyIMKKUIMDTPGVTL-SFVWDYPZSA-N
MW370.41 g/mol
LogP2.01
Rot. Bonds5

About 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate (PubChem CID 177338493) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
PubChem CID177338493
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCc3ccccc3C2)c1O
InChIInChI=1S/C20H22N2O5/c1-12(22-19(24)17-18(23)16(26-2)9-10-21-17)20(25)27-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,23H,7-8,11H2,1-2H3,(H,22,24)/t12-,15?/m0/s1
InChIKeyIMKKUIMDTPGVTL-SFVWDYPZSA-N
XLogP2.01
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate with MolForge

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Related Compounds

3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
[2-(4-chlorophenyl)cyclobutyl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 142590954
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
[(1S)-1-(9H-fluoren-9-yl)ethyl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 137426443
[2,2-bis(3-methoxyphenyl)cyclobutyl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 142590955
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
[(1S,2S)-1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462031
[(1S,2S)-1-methoxy-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462029
(2-phenoxy-2-phenylethyl) (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145114799
1-cyclohexylpropyl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 165176388
[1,1-diphenylethyl(methyl)amino] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 142606575
3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide
CID 18681858

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate (CID 177338493) is 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate is COc1ccnc(C(=O)N[C@@H](C)C(=O)OC2CCc3ccccc3C2)c1O.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The InChIKey is IMKKUIMDTPGVTL-SFVWDYPZSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(22-19(24)17-18(23)16(26-2)9-10-21-17)20(25)27-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,23H,7-8,11H2,1-2H3,(H,22,24)/t12-,15?/m0/s1.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate has a molecular weight of 370.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 177338493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).