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

C11H20N4O2 — CID 54928214

IUPAC2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H20N4O2/c12-7(6-10(13)16)11(17)14-8-3-5-15-4-1-2-9(8)15/h7-9H,1-6,12H2,(H2,13,16)(H,14,17)
InChIKeyNEOPTHIERAJXMS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.46
Rot. Bonds4

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

2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide (PubChem CID 54928214) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
PubChem CID54928214
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H20N4O2/c12-7(6-10(13)16)11(17)14-8-3-5-15-4-1-2-9(8)15/h7-9H,1-6,12H2,(H2,13,16)(H,14,17)
InChIKeyNEOPTHIERAJXMS-UHFFFAOYSA-N
XLogP-1.46
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
CID 103813871
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
CID 54928683
(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
CID 61155991
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
CID 62855383
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
CID 119857973
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide?
The IUPAC name of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide (CID 54928214) is 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide?
The canonical SMILES for 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide is NC(=O)CC(N)C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide?
The InChIKey is NEOPTHIERAJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-7(6-10(13)16)11(17)14-8-3-5-15-4-1-2-9(8)15/h7-9H,1-6,12H2,(H2,13,16)(H,14,17).
What are the key properties of 2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide?
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide has a molecular weight of 240.31 g/mol, XLogP of -1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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)butanediamide is sourced from PubChem (CID 54928214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).