2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid

C11H17N3O5 — CID 107439048

IUPAC2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H17N3O5/c12-9(15)4-14(5-10(16)17)11(18)13-7-3-6-1-2-8(7)19-6/h6-8H,1-5H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyISAUHPBUNYBHRG-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.11
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 107439048) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid
PubChem CID107439048
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C11H17N3O5/c12-9(15)4-14(5-10(16)17)11(18)13-7-3-6-1-2-8(7)19-6/h6-8H,1-5H2,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyISAUHPBUNYBHRG-UHFFFAOYSA-N
XLogP-1.11
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid (CID 107439048) is 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is ISAUHPBUNYBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c12-9(15)4-14(5-10(16)17)11(18)13-7-3-6-1-2-8(7)19-6/h6-8H,1-5H2,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 271.27 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107439048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).