(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid

C12H20N2O3 — CID 134842614

IUPAC(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid
SMILESN[C@H]1CCCCC[C@@]2(C(=O)O)CCCN2C1=O
InChIInChI=1S/C12H20N2O3/c13-9-5-2-1-3-6-12(11(16)17)7-4-8-14(12)10(9)15/h9H,1-8,13H2,(H,16,17)/t9-,12-/m0/s1
InChIKeyDAYRZQSDKSESPL-CABZTGNLSA-N
MW240.30 g/mol
LogP0.72
Rot. Bonds1

About (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid

(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid (PubChem CID 134842614) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid.

Molecular Properties

Compound Name(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid
PubChem CID134842614
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid
SMILESN[C@H]1CCCCC[C@@]2(C(=O)O)CCCN2C1=O
InChIInChI=1S/C12H20N2O3/c13-9-5-2-1-3-6-12(11(16)17)7-4-8-14(12)10(9)15/h9H,1-8,13H2,(H,16,17)/t9-,12-/m0/s1
InChIKeyDAYRZQSDKSESPL-CABZTGNLSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid 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

Perindoprilat
CID 72022
1-[2-(1-Carboxy-butylamino)-propionyl]-octahydro-indole-2-carboxylic acid
CID 44373634
1-[2-(1-Carboxy-butylamino)-acetyl]-octahydro-indole-2-carboxylic acid
CID 73353127
1-[(2R)-2-(1-carboxybutylamino)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 44373617
Lisinopril specified impurity F
CID 71587933
Perindopril tert-Butylamine salt
CID 17571789
(2S)-1-[(2S)-2-amino-6-carboxyhexanoyl]pyrrolidine-2-carboxylic acid
CID 44384108
Cycloleucylproline
CID 61174372
(2S,3aS,7aS)-1-[(2R)-2-[[(1R)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129629063
(2S,3aS,7aS)-1-((2S)-2-Aminopropanoyl)octahydro-1H-indole-2-carboxylic acid
CID 21071336
Orbutopril diacid
CID 58153686
(2S)-1-[(2R)-2,6-diamino-2-(2,2,2-trifluoroethyl)hexanoyl]pyrrolidine-2-carboxylic acid
CID 70539748

Frequently Asked Questions

What is the IUPAC name of (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid?
The IUPAC name of (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid (CID 134842614) is (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid.
What is the SMILES notation for (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid?
The canonical SMILES for (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid is N[C@H]1CCCCC[C@@]2(C(=O)O)CCCN2C1=O.
What is the InChIKey of (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid?
The InChIKey is DAYRZQSDKSESPL-CABZTGNLSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-5-2-1-3-6-12(11(16)17)7-4-8-14(12)10(9)15/h9H,1-8,13H2,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid?
(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid is sourced from PubChem (CID 134842614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).