[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid

C13H19N7O4 — CID 91388946

IUPAC[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid
SMILESCCCCCn1c(NNC(=O)CNC(=O)O)nc(=O)c2[nH]cnc21
InChIInChI=1S/C13H19N7O4/c1-2-3-4-5-20-10-9(15-7-16-10)11(22)17-12(20)19-18-8(21)6-14-13(23)24/h7,14H,2-6H2,1H3,(H,15,16)(H,18,21)(H,23,24)(H,17,19,22)
InChIKeyFKZOYZUHMADFIE-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.02
Rot. Bonds8

About [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid

[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid (PubChem CID 91388946) has the molecular formula C13H19N7O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid
PubChem CID91388946
Molecular FormulaC13H19N7O4
Molecular Weight337.34 g/mol
Exact Mass337.15
IUPAC Name[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid
SMILESCCCCCn1c(NNC(=O)CNC(=O)O)nc(=O)c2[nH]cnc21
InChIInChI=1S/C13H19N7O4/c1-2-3-4-5-20-10-9(15-7-16-10)11(22)17-12(20)19-18-8(21)6-14-13(23)24/h7,14H,2-6H2,1H3,(H,15,16)(H,18,21)(H,23,24)(H,17,19,22)
InChIKeyFKZOYZUHMADFIE-UHFFFAOYSA-N
XLogP0.02
TPSA154.03 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 265407
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CID 135509550
Theophylline-acethydrazide
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n-Hexylaminoxanthine
CID 132280686
4-[2-[2-oxo-2-(propan-2-ylamino)ethyl]iminohydrazinyl]-1H-imidazole-5-carboxamide
CID 298351
(1Z)-N-[(5-carbamoyl-1H-imidazol-4-yl)amino]-2-(heptylamino)-2-oxoethanimidoyl cyanide
CID 5570089
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
CID 135509549
3-pentyl-7H-purin-6-one
CID 9794274
3-hexyl-7H-purin-6-one
CID 10176831
2-[2-aminoethyl-[2-(2-amino-6-oxo-7H-purin-1-yl)acetyl]amino]acetic acid
CID 22395812
3-[2-aminoethyl-[2-(2-amino-6-oxo-7H-purin-1-yl)acetyl]amino]propanoic acid
CID 23225825
(2E)-3-Pentyl-3,7-dihydro-1H-purine-2,6-dione 2-hydrazone
CID 57600263

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid?
The IUPAC name of [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid (CID 91388946) is [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid.
What is the SMILES notation for [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid?
The canonical SMILES for [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid is CCCCCn1c(NNC(=O)CNC(=O)O)nc(=O)c2[nH]cnc21.
What is the InChIKey of [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid?
The InChIKey is FKZOYZUHMADFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O4/c1-2-3-4-5-20-10-9(15-7-16-10)11(22)17-12(20)19-18-8(21)6-14-13(23)24/h7,14H,2-6H2,1H3,(H,15,16)(H,18,21)(H,23,24)(H,17,19,22).
What are the key properties of [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid?
[2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid has a molecular weight of 337.34 g/mol, XLogP of 0.02, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(6-oxo-3-pentyl-7H-purin-2-yl)hydrazinyl]ethyl]carbamic acid is sourced from PubChem (CID 91388946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).