7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid

C12H17N3O5 — CID 28773376

IUPAC7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-9(17)5-3-1-2-4-6-13-10(18)8-7-14-12(20)15-11(8)19/h7H,1-6H2,(H,13,18)(H,16,17)(H2,14,15,19,20)
InChIKeyNAEHQMWATOOUAH-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.17
Rot. Bonds8

About 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid

7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid (PubChem CID 28773376) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid
PubChem CID28773376
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-9(17)5-3-1-2-4-6-13-10(18)8-7-14-12(20)15-11(8)19/h7H,1-6H2,(H,13,18)(H,16,17)(H2,14,15,19,20)
InChIKeyNAEHQMWATOOUAH-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid with MolForge

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Related Compounds

5-Fluorouracil-stearic acid
CID 168475782
6-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 65563145
8-(2,4-Dioxopyrimidin-1-yl)octanoic acid
CID 57910537
6-(2,4-dioxo-1H-pyrimidin-5-yl)hexanoic acid
CID 160413711
5-methyl-1H-pyrimidine-2,4-dione;octadecanoic acid
CID 161078720
5-(2,4-dioxo-1H-pyrimidin-5-yl)pentanoic acid
CID 175833600
7-(2,4-dioxo-1H-pyrimidin-5-yl)heptanoic acid
CID 175833625
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 28773268
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28773374
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43163206
methyl 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoate
CID 43404601
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 43469900

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid (CID 28773376) is 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid?
The InChIKey is NAEHQMWATOOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9(17)5-3-1-2-4-6-13-10(18)8-7-14-12(20)15-11(8)19/h7H,1-6H2,(H,13,18)(H,16,17)(H2,14,15,19,20).
What are the key properties of 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid?
7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 28773376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).