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

C11H21N3O — CID 61264414

IUPAC2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H21N3O/c1-11(2,12)10(15)13-8-5-7-14-6-3-4-9(8)14/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeySPLZAYKFDDNTAD-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.08
Rot. Bonds2

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

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide (PubChem CID 61264414) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
PubChem CID61264414
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H21N3O/c1-11(2,12)10(15)13-8-5-7-14-6-3-4-9(8)14/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeySPLZAYKFDDNTAD-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
CID 62836029
1-tert-butyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)urea
CID 115585906
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11514113
2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 78953701
2-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921626
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
1-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropane-1-carboxamide
CID 65465504
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide (CID 61264414) is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide is CC(C)(N)C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide?
The InChIKey is SPLZAYKFDDNTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,12)10(15)13-8-5-7-14-6-3-4-9(8)14/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide?
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide has a molecular weight of 211.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 61264414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).