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

C11H15N3O5 — CID 43469900

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-3-4-7(10(17)18)13-8(15)6-5-12-11(19)14-9(6)16/h5,7H,2-4H2,1H3,(H,13,15)(H,17,18)(H2,12,14,16,19)
InChIKeyWJXGSWZEWCMACT-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds6

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

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (PubChem CID 43469900) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
PubChem CID43469900
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-3-4-7(10(17)18)13-8(15)6-5-12-11(19)14-9(6)16/h5,7H,2-4H2,1H3,(H,13,15)(H,17,18)(H2,12,14,16,19)
InChIKeyWJXGSWZEWCMACT-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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Related Compounds

(S)-6-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)hexanoic acid
CID 44413657
alpha-Glutamylthymine
CID 196474
2-Aminoethyllysine-carbonylmethylene-thymine
CID 5289433
6-[3-[2-Aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoylamino]hexanoic acid
CID 23225826
6-[5-{[(Carboxymethyl)amino]carbonyl}-3-cyclohexyl-6-hydroxy-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]hexanoic acid
CID 24831033
2-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 70286731
2-(2,4-Dioxopyrimidin-1-yl)hexanoic acid
CID 70400742
5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
CID 160916514
(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
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 28773268
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid (CID 43469900) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
The InChIKey is WJXGSWZEWCMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-3-4-7(10(17)18)13-8(15)6-5-12-11(19)14-9(6)16/h5,7H,2-4H2,1H3,(H,13,15)(H,17,18)(H2,12,14,16,19).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-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-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).