[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C10H14N4O5 — CID 87497191

IUPAC[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESNCCC[C@@H](N)C(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N4O5/c11-3-1-2-5(12)8(16)19-9(17)6-4-7(15)14-10(18)13-6/h4-5H,1-3,11-12H2,(H2,13,14,15,18)/t5-/m1/s1
InChIKeyDCLSOJDVBSHQFL-RXMQYKEDSA-N
MW270.25 g/mol
LogP-2.19
Rot. Bonds5

About [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 87497191) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID87497191
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESNCCC[C@@H](N)C(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H14N4O5/c11-3-1-2-5(12)8(16)19-9(17)6-4-7(15)14-10(18)13-6/h4-5H,1-3,11-12H2,(H2,13,14,15,18)/t5-/m1/s1
InChIKeyDCLSOJDVBSHQFL-RXMQYKEDSA-N
XLogP-2.19
TPSA161.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 87497191) is [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is NCCC[C@@H](N)C(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is DCLSOJDVBSHQFL-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H14N4O5/c11-3-1-2-5(12)8(16)19-9(17)6-4-7(15)14-10(18)13-6/h4-5H,1-3,11-12H2,(H2,13,14,15,18)/t5-/m1/s1.
What are the key properties of [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 270.25 g/mol, XLogP of -2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,5-diaminopentanoyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 87497191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).