1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid

C8H15N3O4 — CID 159383622

IUPAC1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid
SMILESCN(C)CC(=O)O.O=C1CCNC(=O)N1
InChIInChI=1S/C4H6N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;1-5(2)3-4(6)7/h1-2H2,(H2,5,6,7,8);3H2,1-2H3,(H,6,7)
InChIKeyLLFJEMKZRTVCGX-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.15
Rot. Bonds2

About 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid

1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid (PubChem CID 159383622) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid
PubChem CID159383622
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid
SMILESCN(C)CC(=O)O.O=C1CCNC(=O)N1
InChIInChI=1S/C4H6N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;1-5(2)3-4(6)7/h1-2H2,(H2,5,6,7,8);3H2,1-2H3,(H,6,7)
InChIKeyLLFJEMKZRTVCGX-UHFFFAOYSA-N
XLogP-1.15
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-diazinane-2,4-dione;ethylphosphane
CID 175109372
azane;2-(dimethylamino)acetic acid
CID 172828475
2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 66062995
2-[2-(dimethylamino)ethyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
CID 107530443
2-[methyl-(3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 43135726
tricalcium;2-(dimethylamino)acetic acid;diphosphate
CID 174914773
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;bis(piperazine-2,3-dione)
CID 70307864
propanoic acid;pyrrolidin-2-one
CID 163580997
imidazolidin-2-one;pentanedioic acid
CID 139045417
dodecanoic acid;imidazolidine-2,4-dione
CID 174508085
1-[2-(dimethylamino)acetyl]pyrazolidin-3-one
CID 165460106
2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285060

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid?
The IUPAC name of 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid (CID 159383622) is 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid.
What is the SMILES notation for 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid?
The canonical SMILES for 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid is CN(C)CC(=O)O.O=C1CCNC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid?
The InChIKey is LLFJEMKZRTVCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;1-5(2)3-4(6)7/h1-2H2,(H2,5,6,7,8);3H2,1-2H3,(H,6,7).
What are the key properties of 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid?
1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid has a molecular weight of 217.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4-dione;2-(dimethylamino)acetic acid is sourced from PubChem (CID 159383622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).