2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

C17H27N3O6 — CID 24830240

IUPAC2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)CCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C17H27N3O6/c1-10(2)5-7-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)8-6-11(3)4/h10-11,24H,5-9H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyZMIFXSGBQPSVQQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.62
Rot. Bonds9

About 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24830240) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24830240
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Name2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)CCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C17H27N3O6/c1-10(2)5-7-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)8-6-11(3)4/h10-11,24H,5-9H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyZMIFXSGBQPSVQQ-UHFFFAOYSA-N
XLogP0.62
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24830240) is 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is CC(C)CCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCC(C)C)c1=O.
What is the InChIKey of 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is ZMIFXSGBQPSVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-10(2)5-7-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)8-6-11(3)4/h10-11,24H,5-9H2,1-4H3,(H,18,23)(H,21,22).
What are the key properties of 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-1,3-bis(3-methylbutyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24830240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).