(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide

C13H18N2O5 — CID 166269989

IUPAC(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)NCc1cc(=O)c(O)co1)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c1-9(15-2-4-19-5-3-15)13(18)14-7-10-6-11(16)12(17)8-20-10/h6,8-9,17H,2-5,7H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeyZOLKOLPVQHQKHK-VIFPVBQESA-N
MW282.30 g/mol
LogP-0.32
Rot. Bonds4

About (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide

(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide (PubChem CID 166269989) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide
PubChem CID166269989
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)NCc1cc(=O)c(O)co1)N1CCOCC1
InChIInChI=1S/C13H18N2O5/c1-9(15-2-4-19-5-3-15)13(18)14-7-10-6-11(16)12(17)8-20-10/h6,8-9,17H,2-5,7H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeyZOLKOLPVQHQKHK-VIFPVBQESA-N
XLogP-0.32
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166372523
2-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110446396
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-3-(2-propan-2-yl-6-propylphenyl)urea
CID 154785148
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 5094614
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
CID 110446361
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166190895

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide (CID 166269989) is (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide is C[C@@H](C(=O)NCc1cc(=O)c(O)co1)N1CCOCC1.
What is the InChIKey of (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide?
The InChIKey is ZOLKOLPVQHQKHK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9(15-2-4-19-5-3-15)13(18)14-7-10-6-11(16)12(17)8-20-10/h6,8-9,17H,2-5,7H2,1H3,(H,14,18)/t9-/m0/s1.
What are the key properties of (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide?
(2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide has a molecular weight of 282.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 166269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).