2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide

C13H22N2O2 — CID 97364723

IUPAC2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@H]1COC[C@H]2CNC[C@H]21)NCC1CC1
InChIInChI=1S/C13H22N2O2/c16-13(15-4-9-1-2-9)3-10-7-17-8-11-5-14-6-12(10)11/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12+/m1/s1
InChIKeyYCGCDIIOOFYWAX-UTUOFQBUSA-N
MW238.33 g/mol
LogP0.38
Rot. Bonds4

About 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide

2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 97364723) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID97364723
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@H]1COC[C@H]2CNC[C@H]21)NCC1CC1
InChIInChI=1S/C13H22N2O2/c16-13(15-4-9-1-2-9)3-10-7-17-8-11-5-14-6-12(10)11/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12+/m1/s1
InChIKeyYCGCDIIOOFYWAX-UTUOFQBUSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide with MolForge

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Related Compounds

2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97364774
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505
2-[(3aR,7S,7aS)-2-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97379887
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
N-(cyclopropylmethyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207970
2-(azetidin-3-yloxy)-N-(cyclopropylmethyl)acetamide
CID 63105334
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)acetate
CID 167735471
N-(cyclopropylmethyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62371934
N-(cyclopropylmethyl)-2-[(5R,6R)-4-(furan-3-ylmethyl)-5-methyl-1,4-oxazepan-6-yl]acetamide
CID 124830459

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide (CID 97364723) is 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide is O=C(C[C@@H]1COC[C@H]2CNC[C@H]21)NCC1CC1.
What is the InChIKey of 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is YCGCDIIOOFYWAX-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-4-9-1-2-9)3-10-7-17-8-11-5-14-6-12(10)11/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12+/m1/s1.
What are the key properties of 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide?
2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7S,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 97364723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).