(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid

C10H13N3O6 — CID 56774526

IUPAC(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-19-5-8(15)11-6(9(16)17)4-13-3-2-7(14)12-10(13)18/h2-3,6H,4-5H2,1H3,(H,11,15)(H,16,17)(H,12,14,18)/t6-/m0/s1
InChIKeyYIGPGCQMOLTTAO-LURJTMIESA-N
MW271.23 g/mol
LogP-2.25
Rot. Bonds6

About (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid

(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid (PubChem CID 56774526) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid
PubChem CID56774526
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H13N3O6/c1-19-5-8(15)11-6(9(16)17)4-13-3-2-7(14)12-10(13)18/h2-3,6H,4-5H2,1H3,(H,11,15)(H,16,17)(H,12,14,18)/t6-/m0/s1
InChIKeyYIGPGCQMOLTTAO-LURJTMIESA-N
XLogP-2.25
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid?
The IUPAC name of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid (CID 56774526) is (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid is COCC(=O)N[C@@H](Cn1ccc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid?
The InChIKey is YIGPGCQMOLTTAO-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O6/c1-19-5-8(15)11-6(9(16)17)4-13-3-2-7(14)12-10(13)18/h2-3,6H,4-5H2,1H3,(H,11,15)(H,16,17)(H,12,14,18)/t6-/m0/s1.
What are the key properties of (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid?
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 56774526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).