2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide

C10H19N3O — CID 130899387

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide
SMILESNC(=O)CNC1CCC2CNCC2C1
InChIInChI=1S/C10H19N3O/c11-10(14)6-13-9-2-1-7-4-12-5-8(7)3-9/h7-9,12-13H,1-6H2,(H2,11,14)
InChIKeyLJYUNARFGPFPMM-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.55
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide (PubChem CID 130899387) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide
PubChem CID130899387
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide
SMILESNC(=O)CNC1CCC2CNCC2C1
InChIInChI=1S/C10H19N3O/c11-10(14)6-13-9-2-1-7-4-12-5-8(7)3-9/h7-9,12-13H,1-6H2,(H2,11,14)
InChIKeyLJYUNARFGPFPMM-UHFFFAOYSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)acetamide
CID 13444045
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide
CID 104982241
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-(4-methylphenyl)acetamide
CID 43603845
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
CID 43774214
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydroxybenzamide
CID 104894014
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-difluoromethanesulfonamide
CID 43602905
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-dioxothiolane-3-carboxamide
CID 64912129
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892513
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-1,1-dioxothiane-2-carboxamide
CID 104517902

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide (CID 130899387) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide is NC(=O)CNC1CCC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide?
The InChIKey is LJYUNARFGPFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(14)6-13-9-2-1-7-4-12-5-8(7)3-9/h7-9,12-13H,1-6H2,(H2,11,14).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide has a molecular weight of 197.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide is sourced from PubChem (CID 130899387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).