(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

C14H25N3O3 — CID 154807805

IUPAC(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESNC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCOCC1
InChIInChI=1S/C14H25N3O3/c15-13(2-5-19-6-3-13)8-17-12(18)14-9-16-7-11(14)1-4-20-10-14/h11,16H,1-10,15H2,(H,17,18)/t11-,14+/m1/s1
InChIKeyAPUONPZFFKRTRZ-RISCZKNCSA-N
MW283.37 g/mol
LogP-0.76
Rot. Bonds3

About (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (PubChem CID 154807805) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
PubChem CID154807805
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESNC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCOCC1
InChIInChI=1S/C14H25N3O3/c15-13(2-5-19-6-3-13)8-17-12(18)14-9-16-7-11(14)1-4-20-10-14/h11,16H,1-10,15H2,(H,17,18)/t11-,14+/m1/s1
InChIKeyAPUONPZFFKRTRZ-RISCZKNCSA-N
XLogP-0.76
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010042
(3aS,7aS)-N-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(3aS,7aS)-N-[2-(methylamino)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154844880
(3aS,7aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138011244
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 138010644
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(7-azaspiro[3.5]nonan-7-yl)methanone
CID 138010805
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone
CID 138014882
(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167806834
(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679190
(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 130610210
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 138014909

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (CID 154807805) is (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is NC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CCOCC1.
What is the InChIKey of (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is APUONPZFFKRTRZ-RISCZKNCSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-13(2-5-19-6-3-13)8-17-12(18)14-9-16-7-11(14)1-4-20-10-14/h11,16H,1-10,15H2,(H,17,18)/t11-,14+/m1/s1.
What are the key properties of (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 154807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).