(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid

C10H13N3O5 — CID 53471723

IUPAC(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESCc1cn(C(=O)[C@@H](N)CCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-5-4-13(10(18)12-8(5)16)9(17)6(11)2-3-7(14)15/h4,6H,2-3,11H2,1H3,(H,14,15)(H,12,16,18)/t6-/m0/s1
InChIKeyJJZWJUSTQLDMSP-LURJTMIESA-N
MW255.23 g/mol
LogP-1.32
Rot. Bonds4

About (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid

(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (PubChem CID 53471723) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
PubChem CID53471723
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
SMILESCc1cn(C(=O)[C@@H](N)CCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-5-4-13(10(18)12-8(5)16)9(17)6(11)2-3-7(14)15/h4,6H,2-3,11H2,1H3,(H,14,15)(H,12,16,18)/t6-/m0/s1
InChIKeyJJZWJUSTQLDMSP-LURJTMIESA-N
XLogP-1.32
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid (CID 53471723) is (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is Cc1cn(C(=O)[C@@H](N)CCC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
The InChIKey is JJZWJUSTQLDMSP-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O5/c1-5-4-13(10(18)12-8(5)16)9(17)6(11)2-3-7(14)15/h4,6H,2-3,11H2,1H3,(H,14,15)(H,12,16,18)/t6-/m0/s1.
What are the key properties of (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid?
(4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 53471723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).