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

C11H15N3O5 — CID 5039256

IUPAC6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)
InChIKeyJENYBQGBHAJBST-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.56
Rot. Bonds7

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

6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 5039256) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
PubChem CID5039256
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)
InChIKeyJENYBQGBHAJBST-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'}

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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
(S)-6-amino-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)hexanoic acid
CID 44413677
4-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]butanoic acid
CID 1761612
Orotyl-leucine
CID 28194900
6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylamino]hexanoic acid
CID 313549
sodium 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
CID 126478514
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-3-methylpentanoic acid
CID 24693148
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-4-methylpentanoic acid
CID 24700673
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pentanedioic acid
CID 60831302
(2S)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pentanedioic acid
CID 61152861
8-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-8-oxooctanoic acid
CID 68654646
6-(2,4-dioxo-1H-pyrimidin-3-yl)hexanoic acid
CID 70400743

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid (CID 5039256) is 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
The InChIKey is JENYBQGBHAJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19).
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]hexanoic acid?
6-[(2,4-dioxo-1H-pyrimidine-6-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-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 5039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).