2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C10H16N4O6 — CID 68559510

IUPAC2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9)
InChIKeyKXWFMGMEXVNZFJ-UHFFFAOYSA-N
MW288.26 g/mol
LogP-2.10
Rot. Bonds5

About 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 68559510) has the molecular formula C10H16N4O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID68559510
Molecular FormulaC10H16N4O6
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9)
InChIKeyKXWFMGMEXVNZFJ-UHFFFAOYSA-N
XLogP-2.10
TPSA192.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 5-2.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,5-diaminopentanoic 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

Related Compounds

CID 119786
CID 119786
CID 17776561
CID 17776561
CID 23436594
CID 23436594
CID 42630666
CID 42630666
CID 42641668
CID 42641668
CID 45107261
CID 45107261
CID 67591082
CID 67591082
CID 68554717
CID 68554717
CID 69756930
CID 69756930
CID 69756933
CID 69756933
CID 87250255
CID 87250255
CID 87497191
CID 87497191

Frequently Asked Questions

What is the IUPAC name of 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 68559510) is 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCCC(N)C(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is KXWFMGMEXVNZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C5H12N2O2/c8-3-1-2(4(9)10)6-5(11)7-3;6-3-1-2-4(7)5(8)9/h1H,(H,9,10)(H2,6,7,8,11);4H,1-3,6-7H2,(H,8,9).
What are the key properties of 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -2.10, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 68559510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).