2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid

C10H17N5O4 — CID 173481596

IUPAC2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid
SMILES[H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC(=O)O
InChIInChI=1S/C10H17N5O4/c1-14(2)3-4-15-9(18)7(12-5-6(16)17)8(11)13-10(15)19/h7,12H,3-5H2,1-2H3,(H,16,17)(H2,11,13,19)
InChIKeyVFGMLVXHBZTBCO-UHFFFAOYSA-N
MW271.28 g/mol
LogP-1.88
Rot. Bonds6

About 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid

2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid (PubChem CID 173481596) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid
PubChem CID173481596
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid
SMILES[H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC(=O)O
InChIInChI=1S/C10H17N5O4/c1-14(2)3-4-15-9(18)7(12-5-6(16)17)8(11)13-10(15)19/h7,12H,3-5H2,1-2H3,(H,16,17)(H2,11,13,19)
InChIKeyVFGMLVXHBZTBCO-UHFFFAOYSA-N
XLogP-1.88
TPSA125.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid (CID 173481596) is 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid is [H]/N=C1\NC(=O)N(CCN(C)C)C(=O)C1NCC(=O)O.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid?
The InChIKey is VFGMLVXHBZTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-14(2)3-4-15-9(18)7(12-5-6(16)17)8(11)13-10(15)19/h7,12H,3-5H2,1-2H3,(H,16,17)(H2,11,13,19).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid?
2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid has a molecular weight of 271.28 g/mol, XLogP of -1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid is sourced from PubChem (CID 173481596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).