6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid

C11H15N3O5 — CID 28773268

IUPAC6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c15-8(16)4-2-1-3-5-12-9(17)7-6-13-11(19)14-10(7)18/h6H,1-5H2,(H,12,17)(H,15,16)(H2,13,14,18,19)
InChIKeyMTNXEOIDUAIIDN-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds7

About 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid

6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 28773268) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID28773268
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c15-8(16)4-2-1-3-5-12-9(17)7-6-13-11(19)14-10(7)18/h6H,1-5H2,(H,12,17)(H,15,16)(H2,13,14,18,19)
InChIKeyMTNXEOIDUAIIDN-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoate
CID 135745807
6-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]hexanoic acid
CID 12849074
6-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 65563145
1-(5'-Carboxyamyl)-5-carboxyuracil
CID 129778450
6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 64298614
4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
CID 18970230
6-[3-[2-Aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoylamino]hexanoic acid
CID 23225826
6-(2,4-Dioxopyrimidin-1-yl)hexanoic acid
CID 54359205
6-(2,4-dioxo-1H-pyrimidin-3-yl)hexanoic acid
CID 70400743
5-(2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
CID 175833600
(2S)-2-amino-6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 15518557
2-Amino-6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 21588566

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (CID 28773268) is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is MTNXEOIDUAIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-8(16)4-2-1-3-5-12-9(17)7-6-13-11(19)14-10(7)18/h6H,1-5H2,(H,12,17)(H,15,16)(H2,13,14,18,19).
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 28773268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).