2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid

C12H17N3O5 — CID 62818598

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-4-15(12(2,3)10(18)19)9(17)6-7-5-8(16)14-11(20)13-7/h5H,4,6H2,1-3H3,(H,18,19)(H2,13,14,16,20)
InChIKeyGMTVWSUTLAWQHI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.68
Rot. Bonds5

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62818598) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62818598
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-4-15(12(2,3)10(18)19)9(17)6-7-5-8(16)14-11(20)13-7/h5H,4,6H2,1-3H3,(H,18,19)(H2,13,14,16,20)
InChIKeyGMTVWSUTLAWQHI-UHFFFAOYSA-N
XLogP-0.68
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid (CID 62818598) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is GMTVWSUTLAWQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-4-15(12(2,3)10(18)19)9(17)6-7-5-8(16)14-11(20)13-7/h5H,4,6H2,1-3H3,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).