fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate

C9H13FN4O4 — CID 143895771

IUPACfluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1NCC(=O)OF
InChIInChI=1S/C9H13FN4O4/c1-2-3-14-8(16)6(7(11)13-9(14)17)12-4-5(15)18-10/h6,12H,2-4H2,1H3,(H2,11,13,17)
InChIKeyHMNVDCOSTWAOQA-UHFFFAOYSA-N
MW260.22 g/mol
LogP-0.69
Rot. Bonds5

About fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate

fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate (PubChem CID 143895771) has the molecular formula C9H13FN4O4 and a molecular weight of 260.22 g/mol. Its IUPAC name is fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate.

Molecular Properties

Compound Namefluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate
PubChem CID143895771
Molecular FormulaC9H13FN4O4
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Namefluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1NCC(=O)OF
InChIInChI=1S/C9H13FN4O4/c1-2-3-14-8(16)6(7(11)13-9(14)17)12-4-5(15)18-10/h6,12H,2-4H2,1H3,(H2,11,13,17)
InChIKeyHMNVDCOSTWAOQA-UHFFFAOYSA-N
XLogP-0.69
TPSA111.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate with MolForge

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Related Compounds

N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
Ethyl 2-[[1-[2-(dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetate
CID 140537499
Ethyl 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate
CID 140537500
Ethyl 2-[(4-imino-1-methyl-2,6-dioxo-1,3-diazinan-5-yl)amino]acetate
CID 140537501
5-(Ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione
CID 173382650
2-[[1-[2-(Dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetic acid
CID 173481596
2-[(4-Imino-1-methyl-2,6-dioxo-1,3-diazinan-5-yl)amino]acetic acid
CID 173481597
2-[(4-Imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetic acid
CID 173481601
2-[1,3-dimethyl-8-(2-methylpropylamino)-2,6-dioxo-5H-purin-7-ium-7-yl]acetic acid
CID 73327784
2-[8-(butan-2-ylamino)-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetic acid
CID 77115485
2-(8-amino-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)acetic acid
CID 78291453
5-Amino-6-imino-3-propyl-1,3-diazinane-2,4-dione
CID 138059552

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate?
The IUPAC name of fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate (CID 143895771) is fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate.
What is the SMILES notation for fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate?
The canonical SMILES for fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate is [H]/N=C1\NC(=O)N(CCC)C(=O)C1NCC(=O)OF.
What is the InChIKey of fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate?
The InChIKey is HMNVDCOSTWAOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O4/c1-2-3-14-8(16)6(7(11)13-9(14)17)12-4-5(15)18-10/h6,12H,2-4H2,1H3,(H2,11,13,17).
What are the key properties of fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate?
fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate has a molecular weight of 260.22 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate is sourced from PubChem (CID 143895771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).