2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid

C11H19N3O3 — CID 54967756

IUPAC2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H19N3O3/c1-13(7-10(15)16)11(17)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyUFBWDNHBVXSAMP-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.05
Rot. Bonds3

About 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid

2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid (PubChem CID 54967756) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid
PubChem CID54967756
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H19N3O3/c1-13(7-10(15)16)11(17)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyUFBWDNHBVXSAMP-UHFFFAOYSA-N
XLogP-0.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid (CID 54967756) is 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is UFBWDNHBVXSAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13(7-10(15)16)11(17)12-8-4-6-14-5-2-3-9(8)14/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid?
2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 241.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 54967756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).