2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid

C15H20N2O3 — CID 139705211

IUPAC2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid
SMILESCC1CCN(C(C)(C)C(=O)O)C(=O)N1c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11-9-10-16(15(2,3)13(18)19)14(20)17(11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19)
InChIKeyGDVHRAZHWIRWHC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid

2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid (PubChem CID 139705211) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid
PubChem CID139705211
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid
SMILESCC1CCN(C(C)(C)C(=O)O)C(=O)N1c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11-9-10-16(15(2,3)13(18)19)14(20)17(11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19)
InChIKeyGDVHRAZHWIRWHC-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one
CID 11482320
2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid
CID 67737268
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
methyl (4S)-1-tert-butyl-3-phenyl-2-phenylimino-1,3-diazinane-4-carboxylate
CID 10361490
2,2-dimethyl-4-oxo-4-[(2-oxo-1-phenylpiperidin-3-yl)amino]butanoic acid
CID 119133851
tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
CID 118610098
2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
CID 175473745
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157004
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
1-(2,2-dimethylpropanoyl)-3-phenylimidazolidin-2-one
CID 59647537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid (CID 139705211) is 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid is CC1CCN(C(C)(C)C(=O)O)C(=O)N1c1ccccc1.
What is the InChIKey of 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid?
The InChIKey is GDVHRAZHWIRWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-9-10-16(15(2,3)13(18)19)14(20)17(11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid?
2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid is sourced from PubChem (CID 139705211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).