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

C11H15N3O5 — CID 43469804

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-3-4-6(10(17)18)12-9(16)7-5-8(15)14-11(19)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyRNJGMGJBMDQNSB-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds6

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

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 43469804) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
PubChem CID43469804
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-3-4-6(10(17)18)12-9(16)7-5-8(15)14-11(19)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyRNJGMGJBMDQNSB-UHFFFAOYSA-N
XLogP-0.56
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid (CID 43469804) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The InChIKey is RNJGMGJBMDQNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-3-4-6(10(17)18)12-9(16)7-5-8(15)14-11(19)13-7/h5-6H,2-4H2,1H3,(H,12,16)(H,17,18)(H2,13,14,15,19).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).