N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide

C12H23N3O2 — CID 79282045

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O2/c1-17-8-5-13-9-12(16)14-10-4-7-15-6-2-3-11(10)15/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyRQMNASTXIFQVRR-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.42
Rot. Bonds6

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide (PubChem CID 79282045) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
PubChem CID79282045
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O2/c1-17-8-5-13-9-12(16)14-10-4-7-15-6-2-3-11(10)15/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyRQMNASTXIFQVRR-UHFFFAOYSA-N
XLogP-0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 60868335
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854359
N-(1-cyclopentylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide
CID 119846699
N-[(1S,2S)-2-ethylcyclopentyl]-2-(2-methoxyethylamino)acetamide
CID 99850036
N-[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propanamide
CID 71665848
N-(2-ethylcyclohexyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119732978
N-(2-ethylsulfanylcyclohexyl)-2-(2-methoxyethylamino)acetamide
CID 119808963
2-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569486
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
CID 62623237
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide (CID 79282045) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is RQMNASTXIFQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-8-5-13-9-12(16)14-10-4-7-15-6-2-3-11(10)15/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79282045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).