2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid

C11H17N3O4 — CID 107438359

IUPAC2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H17N3O4/c12-9(15)5-13(6-10(16)17)11(18)14-4-7-1-2-8(14)3-7/h7-8H,1-6H2,(H2,12,15)(H,16,17)
InChIKeyCDELLVTZZGMGOS-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.54
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid (PubChem CID 107438359) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
PubChem CID107438359
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)N1CC2CCC1C2
InChIInChI=1S/C11H17N3O4/c12-9(15)5-13(6-10(16)17)11(18)14-4-7-1-2-8(14)3-7/h7-8H,1-6H2,(H2,12,15)(H,16,17)
InChIKeyCDELLVTZZGMGOS-UHFFFAOYSA-N
XLogP-0.54
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107439357
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 107437737
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
2-[(2-amino-2-oxoethyl)-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 107438508
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
CID 107438598
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
CID 136578618
2-[(2-amino-2-oxoethyl)-(morpholine-4-carbonyl)amino]acetic acid
CID 107435191
2-[carboxymethyl-(2,3-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55246330
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid (CID 107438359) is 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)N1CC2CCC1C2.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
The InChIKey is CDELLVTZZGMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-9(15)5-13(6-10(16)17)11(18)14-4-7-1-2-8(14)3-7/h7-8H,1-6H2,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107438359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).