(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide

C13H25N3O — CID 103813871

IUPAC(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O/c1-2-5-10(14)13(17)15-11-7-9-16-8-4-3-6-12(11)16/h10-12H,2-9,14H2,1H3,(H,15,17)/t10-,11?,12?/m1/s1
InChIKeyBOLWRWIITSUELP-VOMCLLRMSA-N
MW239.36 g/mol
LogP0.86
Rot. Bonds4

About (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide

(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide (PubChem CID 103813871) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
PubChem CID103813871
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O/c1-2-5-10(14)13(17)15-11-7-9-16-8-4-3-6-12(11)16/h10-12H,2-9,14H2,1H3,(H,15,17)/t10-,11?,12?/m1/s1
InChIKeyBOLWRWIITSUELP-VOMCLLRMSA-N
XLogP0.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)hexanamide
CID 54928683
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
CID 54928214
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
CID 119857973
(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
CID 61155991
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
CID 107566553
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
CID 62855383
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide (CID 103813871) is (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide is CCC[C@@H](N)C(=O)NC1CCN2CCCCC12.
What is the InChIKey of (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide?
The InChIKey is BOLWRWIITSUELP-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-5-10(14)13(17)15-11-7-9-16-8-4-3-6-12(11)16/h10-12H,2-9,14H2,1H3,(H,15,17)/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide?
(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide has a molecular weight of 239.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide is sourced from PubChem (CID 103813871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).