4-aminobutanoic acid;1H-pyrimidine-2,4-dione

C8H13N3O4 — CID 16742553

IUPAC4-aminobutanoic acid;1H-pyrimidine-2,4-dione
SMILESNCCCC(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;5-3-1-2-4(6)7/h1-2H,(H2,5,6,7,8);1-3,5H2,(H,6,7)
InChIKeyKCFZTNGYNJWMSD-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.13
Rot. Bonds3

About 4-aminobutanoic acid;1H-pyrimidine-2,4-dione

4-aminobutanoic acid;1H-pyrimidine-2,4-dione (PubChem CID 16742553) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-aminobutanoic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-aminobutanoic acid;1H-pyrimidine-2,4-dione
PubChem CID16742553
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name4-aminobutanoic acid;1H-pyrimidine-2,4-dione
SMILESNCCCC(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;5-3-1-2-4(6)7/h1-2H,(H2,5,6,7,8);1-3,5H2,(H,6,7)
InChIKeyKCFZTNGYNJWMSD-UHFFFAOYSA-N
XLogP-1.13
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)butanoic acid
CID 252390
1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
CID 129656
1-(3'-Amino-3'-carboxypropyl)uracil
CID 129661
Uracil acetate
CID 21112404
3-(Amino-3-carboxypropyl)uracil
CID 21924808
gamma-(n1-Uracilyl)-alpha-aminobutyric acid
CID 53462120
4-(5-Fluoro-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 14551427
4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
CID 58844107
4-[(3-Fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]butanoic acid
CID 88781739
2-Amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid
CID 22326303
acetic acid;1H-pyrimidine-2,4-dione
CID 23088892
4-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53642790

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanoic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of 4-aminobutanoic acid;1H-pyrimidine-2,4-dione (CID 16742553) is 4-aminobutanoic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 4-aminobutanoic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for 4-aminobutanoic acid;1H-pyrimidine-2,4-dione is NCCCC(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 4-aminobutanoic acid;1H-pyrimidine-2,4-dione?
The InChIKey is KCFZTNGYNJWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C4H9NO2/c7-3-1-2-5-4(8)6-3;5-3-1-2-4(6)7/h1-2H,(H2,5,6,7,8);1-3,5H2,(H,6,7).
What are the key properties of 4-aminobutanoic acid;1H-pyrimidine-2,4-dione?
4-aminobutanoic acid;1H-pyrimidine-2,4-dione has a molecular weight of 215.21 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanoic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 16742553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).