6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid

C11H14FN3O5 — CID 12849074

IUPAC6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O5/c12-7-6-15(11(20)14-9(7)18)10(19)13-5-3-1-2-4-8(16)17/h6H,1-5H2,(H,13,19)(H,16,17)(H,14,18,20)
InChIKeyZEPNMXGMZWKESH-UHFFFAOYSA-N
MW287.25 g/mol
LogP-0.12
Rot. Bonds6

About 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid

6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid (PubChem CID 12849074) has the molecular formula C11H14FN3O5 and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid
PubChem CID12849074
Molecular FormulaC11H14FN3O5
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Name6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O5/c12-7-6-15(11(20)14-9(7)18)10(19)13-5-3-1-2-4-8(16)17/h6H,1-5H2,(H,13,19)(H,16,17)(H,14,18,20)
InChIKeyZEPNMXGMZWKESH-UHFFFAOYSA-N
XLogP-0.12
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
CID 129656
5-Fluorouracil-stearic acid
CID 168475782
6-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methoxy]-6-oxohexanoic acid
CID 10732070
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
CID 15172520
6-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 65563145
1-(4-Hydroxycarbonylbutyl)-5-fluorouracil monohydrate
CID 129860625
N'-(4-hydroxycarbonylbutyl)-5-fluorouracil monohydrate
CID 129860629
bis(5-fluoro-1H-pyrimidine-2,4-dione);hexanedioic acid;dihydrate
CID 139205177
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl hexanoate
CID 11747274
5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 63559384
Ethyl 6-(5-fluoro-2,4-dioxopyrimidin-1-yl)hexanoate
CID 64294680
6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 64298614

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid (CID 12849074) is 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is ZEPNMXGMZWKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5/c12-7-6-15(11(20)14-9(7)18)10(19)13-5-3-1-2-4-8(16)17/h6H,1-5H2,(H,13,19)(H,16,17)(H,14,18,20).
What are the key properties of 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid?
6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 287.25 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 12849074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).