4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione

C12H14N2O4 — CID 61328540

IUPAC4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
SMILESCOc1ccc(N)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C12H14N2O4/c1-17-10-3-2-9(13)4-8(10)5-14-11(15)6-18-7-12(14)16/h2-4H,5-7,13H2,1H3
InChIKeyJBZDAWBYESYOGJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.16
Rot. Bonds3

About 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione

4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione (PubChem CID 61328540) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
PubChem CID61328540
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
SMILESCOc1ccc(N)cc1CN1C(=O)COCC1=O
InChIInChI=1S/C12H14N2O4/c1-17-10-3-2-9(13)4-8(10)5-14-11(15)6-18-7-12(14)16/h2-4H,5-7,13H2,1H3
InChIKeyJBZDAWBYESYOGJ-UHFFFAOYSA-N
XLogP0.16
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
2-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391454
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
7-amino-4-[(2-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 62987889
1-[(5-amino-2-methoxyphenyl)methyl]imidazolidin-2-one
CID 61014700
4-[(4-aminophenyl)methyl]morpholine-3,5-dione
CID 61328345
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 43581167
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
CID 79469208
4-[[2-(aminomethyl)-5-fluorophenyl]methyl]morpholine-3,5-dione
CID 64765198
8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764113
4-[(5-amino-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361272

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione (CID 61328540) is 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione is COc1ccc(N)cc1CN1C(=O)COCC1=O.
What is the InChIKey of 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione?
The InChIKey is JBZDAWBYESYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-10-3-2-9(13)4-8(10)5-14-11(15)6-18-7-12(14)16/h2-4H,5-7,13H2,1H3.
What are the key properties of 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione?
4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione has a molecular weight of 250.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 61328540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).