9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C16H26N2O2 — CID 120990013

IUPAC9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)N[C@@H]1C[C@H]3CC[C@@H]1O3)C2
InChIInChI=1S/C16H26N2O2/c17-15-9-2-1-3-10(15)7-11(6-9)16(19)18-13-8-12-4-5-14(13)20-12/h9-15H,1-8,17H2,(H,18,19)/t9?,10?,11?,12-,13-,14+,15?/m1/s1
InChIKeyAHNJJCHTAZHPKA-UWIVAKSDSA-N
MW278.40 g/mol
LogP1.58
Rot. Bonds2

About 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990013) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990013
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)N[C@@H]1C[C@H]3CC[C@@H]1O3)C2
InChIInChI=1S/C16H26N2O2/c17-15-9-2-1-3-10(15)7-11(6-9)16(19)18-13-8-12-4-5-14(13)20-12/h9-15H,1-8,17H2,(H,18,19)/t9?,10?,11?,12-,13-,14+,15?/m1/s1
InChIKeyAHNJJCHTAZHPKA-UWIVAKSDSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119790821
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80732812
9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
9-amino-N-(2-methoxycyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990988
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990552
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120990013) is 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)N[C@@H]1C[C@H]3CC[C@@H]1O3)C2.
What is the InChIKey of 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is AHNJJCHTAZHPKA-UWIVAKSDSA-N. The full InChI is InChI=1S/C16H26N2O2/c17-15-9-2-1-3-10(15)7-11(6-9)16(19)18-13-8-12-4-5-14(13)20-12/h9-15H,1-8,17H2,(H,18,19)/t9?,10?,11?,12-,13-,14+,15?/m1/s1.
What are the key properties of 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).