3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid

C10H18N2O3 — CID 112546783

IUPAC3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
SMILESCCN1CCCN(CC(C)C(=O)O)C1=O
InChIInChI=1S/C10H18N2O3/c1-3-11-5-4-6-12(10(11)15)7-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeySRROFIUXGOGNSB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.85
Rot. Bonds4

About 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid

3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid (PubChem CID 112546783) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
PubChem CID112546783
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid
SMILESCCN1CCCN(CC(C)C(=O)O)C1=O
InChIInChI=1S/C10H18N2O3/c1-3-11-5-4-6-12(10(11)15)7-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeySRROFIUXGOGNSB-UHFFFAOYSA-N
XLogP0.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanoic acid
CID 84804703
3-[3-(2-fluorophenyl)-2-oxo-1,3-diazinan-1-yl]-2-methylpropanoic acid
CID 67661314
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
1,4-diethyl-1,4-diazepane-2,3-dione
CID 12707289
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
CID 112546491
1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one
CID 163865906
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2-acetamido-3-(2-oxoazocan-1-yl)propanoic acid
CID 64581697

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid (CID 112546783) is 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid is CCN1CCCN(CC(C)C(=O)O)C1=O.
What is the InChIKey of 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid?
The InChIKey is SRROFIUXGOGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-11-5-4-6-12(10(11)15)7-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid?
3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 112546783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).