2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C11H18N6O6 — CID 68554717

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N4O2.C5H4N2O4/c7-4(5(11)12)2-1-3-10-6(8)9;8-3-1-2(4(9)10)6-5(11)7-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H,9,10)(H2,6,7,8,11)
InChIKeyHOIDOMQBCABXLA-UHFFFAOYSA-N
MW330.30 g/mol
LogP-2.79
Rot. Bonds6

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 68554717) has the molecular formula C11H18N6O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID68554717
Molecular FormulaC11H18N6O6
Molecular Weight330.30 g/mol
Exact Mass330.13
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNC(N)=NCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H14N4O2.C5H4N2O4/c7-4(5(11)12)2-1-3-10-6(8)9;8-3-1-2(4(9)10)6-5(11)7-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H,9,10)(H2,6,7,8,11)
InChIKeyHOIDOMQBCABXLA-UHFFFAOYSA-N
XLogP-2.79
TPSA230.74 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 5-2.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic 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-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 68554717) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NC(N)=NCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is HOIDOMQBCABXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C5H4N2O4/c7-4(5(11)12)2-1-3-10-6(8)9;8-3-1-2(4(9)10)6-5(11)7-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H,(H,9,10)(H2,6,7,8,11).
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 330.30 g/mol, XLogP of -2.79, 6 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 68554717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).