N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C13H21N3O4 — CID 53299295

IUPACN-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(C)[C@H](CO)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O4/c1-4-8(2)10(7-17)14-11(18)6-16-5-9(3)12(19)15-13(16)20/h5,8,10,17H,4,6-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8?,10-/m0/s1
InChIKeyTYTADNWSAXMBTE-HTLJXXAVSA-N
MW283.33 g/mol
LogP-0.63
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 53299295) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID53299295
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(C)[C@H](CO)NC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O4/c1-4-8(2)10(7-17)14-11(18)6-16-5-9(3)12(19)15-13(16)20/h5,8,10,17H,4,6-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8?,10-/m0/s1
InChIKeyTYTADNWSAXMBTE-HTLJXXAVSA-N
XLogP-0.63
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 53299295) is N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCC(C)[C@H](CO)NC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is TYTADNWSAXMBTE-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-8(2)10(7-17)14-11(18)6-16-5-9(3)12(19)15-13(16)20/h5,8,10,17H,4,6-7H2,1-3H3,(H,14,18)(H,15,19,20)/t8?,10-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylpentan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53299295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).