1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one

C14H21N3O4 — CID 97284852

IUPAC1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCO[C@@H](CCN)C2)c1=O
InChIInChI=1S/C14H21N3O4/c1-20-12-3-2-6-17(14(12)19)10-13(18)16-7-8-21-11(9-16)4-5-15/h2-3,6,11H,4-5,7-10,15H2,1H3/t11-/m0/s1
InChIKeyZGTOIITVAASGEJ-NSHDSACASA-N
MW295.34 g/mol
LogP-0.57
Rot. Bonds5

About 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one

1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one (PubChem CID 97284852) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
PubChem CID97284852
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCO[C@@H](CCN)C2)c1=O
InChIInChI=1S/C14H21N3O4/c1-20-12-3-2-6-17(14(12)19)10-13(18)16-7-8-21-11(9-16)4-5-15/h2-3,6,11H,4-5,7-10,15H2,1H3/t11-/m0/s1
InChIKeyZGTOIITVAASGEJ-NSHDSACASA-N
XLogP-0.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 97283444
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CID 97283001
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 72931086
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3-methoxy-1-[2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-oxoethyl]pyridin-2-one
CID 72884824
1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 122569997
3-methoxy-1-[2-oxo-2-(3-phenylmethoxypiperidin-1-yl)ethyl]pyridin-2-one
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2-(3-methoxy-2-oxo-1-pyridinyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97280486
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one?
The IUPAC name of 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one (CID 97284852) is 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one is COc1cccn(CC(=O)N2CCO[C@@H](CCN)C2)c1=O.
What is the InChIKey of 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one?
The InChIKey is ZGTOIITVAASGEJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-12-3-2-6-17(14(12)19)10-13(18)16-7-8-21-11(9-16)4-5-15/h2-3,6,11H,4-5,7-10,15H2,1H3/t11-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one?
1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one is sourced from PubChem (CID 97284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).