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

C15H23N3O6 — CID 59313198

IUPAC2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)Cn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C15H23N3O6/c1-8(2)6-17-13(22)11(12(21)16-5-10(19)20)14(23)18(15(17)24)7-9(3)4/h8-9,22H,5-7H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyMNRILDBPJABFON-UHFFFAOYSA-N
MW341.36 g/mol
LogP-0.16
Rot. Bonds7

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

2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 59313198) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID59313198
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC(C)Cn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C15H23N3O6/c1-8(2)6-17-13(22)11(12(21)16-5-10(19)20)14(23)18(15(17)24)7-9(3)4/h8-9,22H,5-7H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyMNRILDBPJABFON-UHFFFAOYSA-N
XLogP-0.16
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-0.16
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(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 59313198) is 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is CC(C)Cn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is MNRILDBPJABFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-8(2)6-17-13(22)11(12(21)16-5-10(19)20)14(23)18(15(17)24)7-9(3)4/h8-9,22H,5-7H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 341.36 g/mol, XLogP of -0.16, 7 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(2-methylpropyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 59313198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).