[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid

C9H16N2O2 — CID 126736594

IUPAC[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H16N2O2/c12-9(13)10-5-6-3-7-1-2-8(4-6)11-7/h6-8,10-11H,1-5H2,(H,12,13)/t6?,7-,8+
InChIKeyAHMLBBRJCYKRSW-IEESLHIDSA-N
MW184.24 g/mol
LogP0.78
Rot. Bonds2

About [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid (PubChem CID 126736594) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
PubChem CID126736594
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
SMILESO=C(O)NCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H16N2O2/c12-9(13)10-5-6-3-7-1-2-8(4-6)11-7/h6-8,10-11H,1-5H2,(H,12,13)/t6?,7-,8+
InChIKeyAHMLBBRJCYKRSW-IEESLHIDSA-N
XLogP0.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-fluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 118295225
(1R,2R,3R,5R)-3-amino-2-fluoro-1-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 175368033
8-Azabicyclo[3.2.1]octan-3-ylmethylcarbamic acid
CID 17966355
8-Azabicyclo[3.2.1]octan-3-ylcarbamic acid
CID 21104670
2,2,4,6,6-Pentamethylpiperidine;pyrrolidine-1-carboxylic acid
CID 21292205
2-(2,2,6,6-Tetramethylpiperidin-4-yl)ethylcarbamic acid
CID 21559324
3-(Aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 22135668
4-(Aminomethyl)-2-butylpiperidine-1-carboxylic acid
CID 22184622
(2-Methyl-1-piperidin-4-ylpropyl)carbamic acid
CID 22394362
tert-butyl N-{8-azabicyclo[3.2.1]octan-3-ylmethyl}carbamate
CID 23577313
exo-3-(Boc-aminomethyl)-8-azabicyclo[3.2.1]octane-A13984
CID 51893244
1-(2-Methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 66655102

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid (CID 126736594) is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid.
What is the SMILES notation for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The canonical SMILES for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid is O=C(O)NCC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The InChIKey is AHMLBBRJCYKRSW-IEESLHIDSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)10-5-6-3-7-1-2-8(4-6)11-7/h6-8,10-11H,1-5H2,(H,12,13)/t6?,7-,8+.
What are the key properties of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid has a molecular weight of 184.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid is sourced from PubChem (CID 126736594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).