3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid

C15H18N2O5 — CID 20657678

IUPAC3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid
SMILESCN1CN(CC(=O)OCc2ccccc2)C(=O)CC1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-16-10-17(13(18)7-12(16)15(20)21)8-14(19)22-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,20,21)
InChIKeyMZQGRXDKMGHBLM-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.30
Rot. Bonds5

About 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid

3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid (PubChem CID 20657678) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid
PubChem CID20657678
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid
SMILESCN1CN(CC(=O)OCc2ccccc2)C(=O)CC1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-16-10-17(13(18)7-12(16)15(20)21)8-14(19)22-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,20,21)
InChIKeyMZQGRXDKMGHBLM-UHFFFAOYSA-N
XLogP0.30
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl 2-[3-(hydroxymethyl)azetidin-1-yl]acetate
CID 121105844
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl 2-(3-oxomorpholin-4-yl)acetate;2-(3-oxomorpholin-4-yl)acetic acid
CID 158991156
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
benzyl 18-(2,5-dioxopyrrolidin-1-yl)octadecanoate
CID 135350418
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
CID 70468234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid?
The IUPAC name of 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid (CID 20657678) is 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid is CN1CN(CC(=O)OCc2ccccc2)C(=O)CC1C(=O)O.
What is the InChIKey of 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid?
The InChIKey is MZQGRXDKMGHBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-16-10-17(13(18)7-12(16)15(20)21)8-14(19)22-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,20,21).
What are the key properties of 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid?
3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid is sourced from PubChem (CID 20657678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).