2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

C10H15N3O6 — CID 63645493

IUPAC2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C10H15N3O6/c14-7(15)4-13(5-8(16)17)10(19)12-6-2-1-3-11-9(6)18/h6H,1-5H2,(H,11,18)(H,12,19)(H,14,15)(H,16,17)
InChIKeyFETGGWPEILGHAS-UHFFFAOYSA-N
MW273.24 g/mol
LogP-1.55
Rot. Bonds5

About 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (PubChem CID 63645493) has the molecular formula C10H15N3O6 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
PubChem CID63645493
Molecular FormulaC10H15N3O6
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C10H15N3O6/c14-7(15)4-13(5-8(16)17)10(19)12-6-2-1-3-11-9(6)18/h6H,1-5H2,(H,11,18)(H,12,19)(H,14,15)(H,16,17)
InChIKeyFETGGWPEILGHAS-UHFFFAOYSA-N
XLogP-1.55
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid (CID 63645493) is 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is FETGGWPEILGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c14-7(15)4-13(5-8(16)17)10(19)12-6-2-1-3-11-9(6)18/h6H,1-5H2,(H,11,18)(H,12,19)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 273.24 g/mol, XLogP of -1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).