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

C10H11N3O6 — CID 63650228

IUPAC2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H11N3O6/c14-7(4-12-3-1-2-11-10(12)19)13(5-8(15)16)6-9(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)
InChIKeyQFRBMEAWYOWOTR-UHFFFAOYSA-N
MW269.21 g/mol
LogP-1.76
Rot. Bonds6

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

2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 63650228) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID63650228
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H11N3O6/c14-7(4-12-3-1-2-11-10(12)19)13(5-8(15)16)6-9(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18)
InChIKeyQFRBMEAWYOWOTR-UHFFFAOYSA-N
XLogP-1.76
TPSA129.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 63650228) is 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is QFRBMEAWYOWOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c14-7(4-12-3-1-2-11-10(12)19)13(5-8(15)16)6-9(17)18/h1-3H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 269.21 g/mol, XLogP of -1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 63650228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).