2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C12H17N3O4 — CID 79806353

IUPAC2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-12(4-2,10(17)18)14-9(16)8-15-7-5-6-13-11(15)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQGDYRQDUROBNFP-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds6

About 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 79806353) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID79806353
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-12(4-2,10(17)18)14-9(16)8-15-7-5-6-13-11(15)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyQGDYRQDUROBNFP-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 79806353) is 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CCC(CC)(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is QGDYRQDUROBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-12(4-2,10(17)18)14-9(16)8-15-7-5-6-13-11(15)19/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 79806353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).