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

C10H13N3O4 — CID 54901216

IUPAC2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-2-12(7-9(15)16)8(14)6-13-5-3-4-11-10(13)17/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyCFMOMXNJCODLRS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.82
Rot. Bonds5

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

2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 54901216) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID54901216
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-2-12(7-9(15)16)8(14)6-13-5-3-4-11-10(13)17/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyCFMOMXNJCODLRS-UHFFFAOYSA-N
XLogP-0.82
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 54901216) is 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is CFMOMXNJCODLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-12(7-9(15)16)8(14)6-13-5-3-4-11-10(13)17/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54901216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).