(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

C13H22N2O2 — CID 129461084

IUPAC(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCOC[C@H](C)NC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C13H22N2O2/c1-8(7-17-2)14-13(16)15-6-11-9-3-4-10(5-9)12(11)15/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9-,10-,11-,12+/m0/s1
InChIKeyUFRXKDWWOMBPMA-UHFZAUJKSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds3

About (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (PubChem CID 129461084) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
PubChem CID129461084
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESCOC[C@H](C)NC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C13H22N2O2/c1-8(7-17-2)14-13(16)15-6-11-9-3-4-10(5-9)12(11)15/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9-,10-,11-,12+/m0/s1
InChIKeyUFRXKDWWOMBPMA-UHFZAUJKSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
(1S,2R,5S,6S)-N-pentyl-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
CID 124728717
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
1-(1-methoxypropan-2-ylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66469898
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 95786491
3-[1-(1-methoxypropan-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
1-(1-methoxypropan-2-yl)-3-(3-tricyclo[3.2.1.02,4]octanyl)thiourea
CID 114095795
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
(1S,2R,3R,6R,7R)-N-[(2R)-1-(azepan-1-yl)propan-2-yl]-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
CID 129430173

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The IUPAC name of (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (CID 129461084) is (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.
What is the SMILES notation for (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The canonical SMILES for (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is COC[C@H](C)NC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21.
What is the InChIKey of (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The InChIKey is UFRXKDWWOMBPMA-UHFZAUJKSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(7-17-2)14-13(16)15-6-11-9-3-4-10(5-9)12(11)15/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9-,10-,11-,12+/m0/s1.
What are the key properties of (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
(1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6S)-N-[(2S)-1-methoxypropan-2-yl]-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is sourced from PubChem (CID 129461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).