[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid

C11H20N2O2 — CID 175542912

IUPAC[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(C[C@H]1CC2CCC1N2)NC(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(2,13-10(14)15)6-7-5-8-3-4-9(7)12-8/h7-9,12-13H,3-6H2,1-2H3,(H,14,15)/t7-,8?,9?/m1/s1
InChIKeyXMSZPDPCXOKLDE-AFPNSQJFSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds3

About [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid

[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175542912) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175542912
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(C[C@H]1CC2CCC1N2)NC(=O)O
InChIInChI=1S/C11H20N2O2/c1-11(2,13-10(14)15)6-7-5-8-3-4-9(7)12-8/h7-9,12-13H,3-6H2,1-2H3,(H,14,15)/t7-,8?,9?/m1/s1
InChIKeyXMSZPDPCXOKLDE-AFPNSQJFSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
1-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-butylurea
CID 165451487
[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 175173209
tert-butyl (1R,2S,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 100575330
3-amino-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 105434464
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
2-tert-butyl-7-azabicyclo[2.2.1]heptane
CID 21352057
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 75525587
[1-[4-(hydroxymethyl)-4-(trifluoromethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
CID 175577929
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-5-methylhexan-1-amine
CID 115326187

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid (CID 175542912) is [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid is CC(C)(C[C@H]1CC2CCC1N2)NC(=O)O.
What is the InChIKey of [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is XMSZPDPCXOKLDE-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,13-10(14)15)6-7-5-8-3-4-9(7)12-8/h7-9,12-13H,3-6H2,1-2H3,(H,14,15)/t7-,8?,9?/m1/s1.
What are the key properties of [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 212.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175542912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).