2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid

C13H17N3O4 — CID 62689562

IUPAC2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C13H17N3O4/c17-11(9-16-6-2-4-14-13(16)20)15-5-1-3-10(8-15)7-12(18)19/h2,4,6,10H,1,3,5,7-9H2,(H,18,19)
InChIKeyVUTCFACKUHIDON-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid

2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid (PubChem CID 62689562) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
PubChem CID62689562
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C13H17N3O4/c17-11(9-16-6-2-4-14-13(16)20)15-5-1-3-10(8-15)7-12(18)19/h2,4,6,10H,1,3,5,7-9H2,(H,18,19)
InChIKeyVUTCFACKUHIDON-UHFFFAOYSA-N
XLogP-0.04
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid (CID 62689562) is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is VUTCFACKUHIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11(9-16-6-2-4-14-13(16)20)15-5-1-3-10(8-15)7-12(18)19/h2,4,6,10H,1,3,5,7-9H2,(H,18,19).
What are the key properties of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).