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

C9H16N2O2 — CID 67915994

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)O)C2
InChIInChI=1S/C9H16N2O2/c1-11-7-2-3-8(11)5-6(4-7)10-9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+
InChIKeySPAIQORGWQWFGO-IEESLHIDSA-N
MW184.24 g/mol
LogP0.88
Rot. Bonds1

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

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid (PubChem CID 67915994) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
PubChem CID67915994
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)O)C2
InChIInChI=1S/C9H16N2O2/c1-11-7-2-3-8(11)5-6(4-7)10-9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+
InChIKeySPAIQORGWQWFGO-IEESLHIDSA-N
XLogP0.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
CID 142736972
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 67833389
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
CID 4866509
(2R)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 79009025

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid (CID 67915994) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid is CN1[C@@H]2CC[C@H]1CC(NC(=O)O)C2.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid?
The InChIKey is SPAIQORGWQWFGO-IEESLHIDSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-7-2-3-8(11)5-6(4-7)10-9(12)13/h6-8,10H,2-5H2,1H3,(H,12,13)/t6?,7-,8+.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid has a molecular weight of 184.24 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid is sourced from PubChem (CID 67915994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).