2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid

C11H19NO2 — CID 130806109

IUPAC2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid
SMILESNC(CC12CCC(CC1)CC2)C(=O)O
InChIInChI=1S/C11H19NO2/c12-9(10(13)14)7-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7,12H2,(H,13,14)
InChIKeySWBXUXJBRLZKKK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid

2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid (PubChem CID 130806109) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid
PubChem CID130806109
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid
SMILESNC(CC12CCC(CC1)CC2)C(=O)O
InChIInChI=1S/C11H19NO2/c12-9(10(13)14)7-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7,12H2,(H,13,14)
InChIKeySWBXUXJBRLZKKK-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid?
The IUPAC name of 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid (CID 130806109) is 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid is NC(CC12CCC(CC1)CC2)C(=O)O.
What is the InChIKey of 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid?
The InChIKey is SWBXUXJBRLZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-9(10(13)14)7-11-4-1-8(2-5-11)3-6-11/h8-9H,1-7,12H2,(H,13,14).
What are the key properties of 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid?
2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-bicyclo[2.2.2]octanyl)propanoic acid is sourced from PubChem (CID 130806109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).