2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid

C16H25N3O6 — CID 130351643

IUPAC2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid
SMILESCC(C)Cn1c(O)c(CC(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C16H25N3O6/c1-9(2)7-18-14(23)11(5-12(20)17-6-13(21)22)15(24)19(16(18)25)8-10(3)4/h9-10,23H,5-8H2,1-4H3,(H,17,20)(H,21,22)
InChIKeyUKUYAWYTDWPLDH-UHFFFAOYSA-N
MW355.39 g/mol
LogP-0.23
Rot. Bonds8

About 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid

2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid (PubChem CID 130351643) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid
PubChem CID130351643
Molecular FormulaC16H25N3O6
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Name2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid
SMILESCC(C)Cn1c(O)c(CC(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C16H25N3O6/c1-9(2)7-18-14(23)11(5-12(20)17-6-13(21)22)15(24)19(16(18)25)8-10(3)4/h9-10,23H,5-8H2,1-4H3,(H,17,20)(H,21,22)
InChIKeyUKUYAWYTDWPLDH-UHFFFAOYSA-N
XLogP-0.23
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid (CID 130351643) is 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid is CC(C)Cn1c(O)c(CC(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid?
The InChIKey is UKUYAWYTDWPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6/c1-9(2)7-18-14(23)11(5-12(20)17-6-13(21)22)15(24)19(16(18)25)8-10(3)4/h9-10,23H,5-8H2,1-4H3,(H,17,20)(H,21,22).
What are the key properties of 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid?
2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid has a molecular weight of 355.39 g/mol, XLogP of -0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 130351643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).