2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid

C12H17N3O5 — CID 43469863

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-2-3-4-8(11(18)19)14-9(16)5-7-6-10(17)15-12(20)13-7/h6,8H,2-5H2,1H3,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyQQPWJVGDHOFFSY-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.63
Rot. Bonds7

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid (PubChem CID 43469863) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
PubChem CID43469863
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-2-3-4-8(11(18)19)14-9(16)5-7-6-10(17)15-12(20)13-7/h6,8H,2-5H2,1H3,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyQQPWJVGDHOFFSY-UHFFFAOYSA-N
XLogP-0.63
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170185
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244
6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43352997
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43355430
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 43356116
5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
CID 43358726
7-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]heptanoic acid
CID 43359030
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467755
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43469527
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid (CID 43469863) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid is CCCCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The InChIKey is QQPWJVGDHOFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-2-3-4-8(11(18)19)14-9(16)5-7-6-10(17)15-12(20)13-7/h6,8H,2-5H2,1H3,(H,14,16)(H,18,19)(H2,13,15,17,20).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.63, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43469863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).