(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate

C10H15N3O4 — CID 57302297

IUPAC(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(2)5-7(11)9(15)17-13-4-3-8(14)12-10(13)16/h3-4,6-7H,5,11H2,1-2H3,(H,12,14,16)/t7-/m0/s1
InChIKeyDVINGHMJHBJFAH-ZETCQYMHSA-N
MW241.25 g/mol
LogP-1.13
Rot. Bonds4

About (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate

(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate (PubChem CID 57302297) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate
PubChem CID57302297
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(2)5-7(11)9(15)17-13-4-3-8(14)12-10(13)16/h3-4,6-7H,5,11H2,1-2H3,(H,12,14,16)/t7-/m0/s1
InChIKeyDVINGHMJHBJFAH-ZETCQYMHSA-N
XLogP-1.13
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate?
The IUPAC name of (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate (CID 57302297) is (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)On1ccc(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate?
The InChIKey is DVINGHMJHBJFAH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(2)5-7(11)9(15)17-13-4-3-8(14)12-10(13)16/h3-4,6-7H,5,11H2,1-2H3,(H,12,14,16)/t7-/m0/s1.
What are the key properties of (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate?
(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate has a molecular weight of 241.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 57302297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).