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

C12H17N3O5 — CID 43352997

IUPAC6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c16-9(13-5-3-1-2-4-11(18)19)6-8-7-10(17)15-12(20)14-8/h7H,1-6H2,(H,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyQJQQSBIJEHKCKR-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.63
Rot. Bonds8

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

6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid (PubChem CID 43352997) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
PubChem CID43352997
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c16-9(13-5-3-1-2-4-11(18)19)6-8-7-10(17)15-12(20)14-8/h7H,1-6H2,(H,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyQJQQSBIJEHKCKR-UHFFFAOYSA-N
XLogP-0.63
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]hexanoic acid
CID 313549
6-(3-Methyl-2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)hexanoic acid
CID 19423332
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43354912
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 43356116
7-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]heptanoic acid
CID 43359030
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43361001
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43469863
methyl 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoate
CID 43623242
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 43630807
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-2-yl]acetic acid
CID 61010086
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61369877

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid (CID 43352997) is 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
The InChIKey is QJQQSBIJEHKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9(13-5-3-1-2-4-11(18)19)6-8-7-10(17)15-12(20)14-8/h7H,1-6H2,(H,13,16)(H,18,19)(H2,14,15,17,20).
What are the key properties of 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid?
6-[[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, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43352997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).