1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone

C12H21NO2 — CID 116580735

IUPAC1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H21NO2/c1-7(2)15-6-10(14)11-8-3-4-9(5-8)12(11)13/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyRSTZAGYKDOJVGP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.35
Rot. Bonds4

About 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone (PubChem CID 116580735) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
PubChem CID116580735
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C12H21NO2/c1-7(2)15-6-10(14)11-8-3-4-9(5-8)12(11)13/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyRSTZAGYKDOJVGP-UHFFFAOYSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
CID 116587127
ethyl (1R,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 98135731
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-1-one
CID 116580687
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749079
3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-cyclobutylethanone
CID 116580723
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
CID 119781274
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone (CID 116580735) is 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone?
The InChIKey is RSTZAGYKDOJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7(2)15-6-10(14)11-8-3-4-9(5-8)12(11)13/h7-9,11-12H,3-6,13H2,1-2H3.
What are the key properties of 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone?
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone has a molecular weight of 211.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116580735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).