2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid

C8H13N3O4 — CID 63661093

IUPAC2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H13N3O4/c12-6-2-1-5(3-9-6)11-8(15)10-4-7(13)14/h5H,1-4H2,(H,9,12)(H,13,14)(H2,10,11,15)
InChIKeyCAGXOERJEFMMBP-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.35
Rot. Bonds3

About 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid

2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid (PubChem CID 63661093) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid
PubChem CID63661093
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H13N3O4/c12-6-2-1-5(3-9-6)11-8(15)10-4-7(13)14/h5H,1-4H2,(H,9,12)(H,13,14)(H2,10,11,15)
InChIKeyCAGXOERJEFMMBP-UHFFFAOYSA-N
XLogP-1.35
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid (CID 63661093) is 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid is O=C(O)CNC(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid?
The InChIKey is CAGXOERJEFMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-6-2-1-5(3-9-6)11-8(15)10-4-7(13)14/h5H,1-4H2,(H,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid?
2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopiperidin-3-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 63661093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).