[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid

C9H16N2O3 — CID 151824416

IUPAC[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESNC12CCC(NC(=O)O)(CC1)[C@@H](O)C2
InChIInChI=1S/C9H16N2O3/c10-8-1-3-9(4-2-8,6(12)5-8)11-7(13)14/h6,11-12H,1-5,10H2,(H,13,14)/t6-,8?,9?/m0/s1
InChIKeySDHLSAFNIZQMSJ-GVWIPJJGSA-N
MW200.24 g/mol
LogP0.03
Rot. Bonds1

About [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid

[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid (PubChem CID 151824416) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
PubChem CID151824416
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
SMILESNC12CCC(NC(=O)O)(CC1)[C@@H](O)C2
InChIInChI=1S/C9H16N2O3/c10-8-1-3-9(4-2-8,6(12)5-8)11-7(13)14/h6,11-12H,1-5,10H2,(H,13,14)/t6-,8?,9?/m0/s1
InChIKeySDHLSAFNIZQMSJ-GVWIPJJGSA-N
XLogP0.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid?
The IUPAC name of [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid (CID 151824416) is [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid.
What is the SMILES notation for [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid?
The canonical SMILES for [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid is NC12CCC(NC(=O)O)(CC1)[C@@H](O)C2.
What is the InChIKey of [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid?
The InChIKey is SDHLSAFNIZQMSJ-GVWIPJJGSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-8-1-3-9(4-2-8,6(12)5-8)11-7(13)14/h6,11-12H,1-5,10H2,(H,13,14)/t6-,8?,9?/m0/s1.
What are the key properties of [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid?
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid has a molecular weight of 200.24 g/mol, XLogP of 0.03, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid is sourced from PubChem (CID 151824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).