2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione

C9H16N4O4 — CID 67568449

IUPAC2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O.NCCNCC(=O)O
InChIInChI=1S/C5H6N2O2.C4H10N2O2/c1-3-2-6-5(9)7-4(3)8;5-1-2-6-3-4(7)8/h2H,1H3,(H2,6,7,8,9);6H,1-3,5H2,(H,7,8)
InChIKeyALRDSVHRMIWNBW-UHFFFAOYSA-N
MW244.25 g/mol
LogP-2.01
Rot. Bonds4

About 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione

2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 67568449) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione
PubChem CID67568449
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c[nH]c(=O)[nH]c1=O.NCCNCC(=O)O
InChIInChI=1S/C5H6N2O2.C4H10N2O2/c1-3-2-6-5(9)7-4(3)8;5-1-2-6-3-4(7)8/h2H,1H3,(H2,6,7,8,9);6H,1-3,5H2,(H,7,8)
InChIKeyALRDSVHRMIWNBW-UHFFFAOYSA-N
XLogP-2.01
TPSA141.07 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione 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-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione (CID 67568449) is 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione is Cc1c[nH]c(=O)[nH]c1=O.NCCNCC(=O)O.
What is the InChIKey of 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ALRDSVHRMIWNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C4H10N2O2/c1-3-2-6-5(9)7-4(3)8;5-1-2-6-3-4(7)8/h2H,1H3,(H2,6,7,8,9);6H,1-3,5H2,(H,7,8).
What are the key properties of 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of -2.01, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)acetic acid;5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67568449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).