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

C13H25N3O — CID 61155991

IUPAC(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-3-9(2)12(14)13(17)15-10-6-8-16-7-4-5-11(10)16/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?,12-/m0/s1
InChIKeyIVZPQRZQIZSPHY-XKGSQUFQSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds4

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

(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide (PubChem CID 61155991) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
PubChem CID61155991
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-3-9(2)12(14)13(17)15-10-6-8-16-7-4-5-11(10)16/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?,12-/m0/s1
InChIKeyIVZPQRZQIZSPHY-XKGSQUFQSA-N
XLogP0.71
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 ≤ 50.71
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)-3-methylbutanamide;dihydrochloride
CID 119857973
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)propanamide;dihydrochloride
CID 119857996
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
(2R)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pentanamide
CID 103813871
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)hexanamide
CID 54928683
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889
(2S)-2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpentanamide
CID 61173160
(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
CID 64907204

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide (CID 61155991) is (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CCN2CCCC12.
What is the InChIKey of (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide?
The InChIKey is IVZPQRZQIZSPHY-XKGSQUFQSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-9(2)12(14)13(17)15-10-6-8-16-7-4-5-11(10)16/h9-12H,3-8,14H2,1-2H3,(H,15,17)/t9-,10?,11?,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide is sourced from PubChem (CID 61155991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).