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

C17H27N3O6 — CID 59313212

IUPAC2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCCC(C)(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)(C)CC)c1=O
InChIInChI=1S/C17H27N3O6/c1-7-16(3,4)19-13(24)11(12(23)18-9-10(21)22)14(25)20(15(19)26)17(5,6)8-2/h24H,7-9H2,1-6H3,(H,18,23)(H,21,22)
InChIKeyOJAKFINPAWDDNE-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.82
Rot. Bonds7

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

2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 59313212) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID59313212
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Name2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCCC(C)(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)(C)CC)c1=O
InChIInChI=1S/C17H27N3O6/c1-7-16(3,4)19-13(24)11(12(23)18-9-10(21)22)14(25)20(15(19)26)17(5,6)8-2/h24H,7-9H2,1-6H3,(H,18,23)(H,21,22)
InChIKeyOJAKFINPAWDDNE-UHFFFAOYSA-N
XLogP0.82
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[(2-bromophenyl)methyl]-3-tert-butyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831833
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-2,4-dioxo-3-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 24832001
2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831198
2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 130351642
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
2-[[1-benzyl-4-hydroxy-3-[(3-isocyanophenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 59313200
2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831194
2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
CID 59313208
2-[[1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54721178
2-[(2,4-dihydroxy-3,5,6-trimethylbenzoyl)amino]acetic acid
CID 26437134
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 59313212) is 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is CCC(C)(C)n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C(C)(C)CC)c1=O.
What is the InChIKey of 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is OJAKFINPAWDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-7-16(3,4)19-13(24)11(12(23)18-9-10(21)22)14(25)20(15(19)26)17(5,6)8-2/h24H,7-9H2,1-6H3,(H,18,23)(H,21,22).
What are the key properties of 2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1,3-bis(2-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 0.82, 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-methylbutan-2-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 59313212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).