(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid

C9H15NO5 — CID 59125271

IUPAC(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
SMILESO=C(O)C1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C9H15NO5/c11-4-2-1-3-10-5(4)7(12)8(13)6(10)9(14)15/h4-8,11-13H,1-3H2,(H,14,15)/t4-,5-,6?,7+,8-/m1/s1
InChIKeyUSWZGXIKGGLZHM-LUDLSAIJSA-N
MW217.22 g/mol
LogP-2.00
Rot. Bonds1

About (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid

(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid (PubChem CID 59125271) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
PubChem CID59125271
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
SMILESO=C(O)C1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN12
InChIInChI=1S/C9H15NO5/c11-4-2-1-3-10-5(4)7(12)8(13)6(10)9(14)15/h4-8,11-13H,1-3H2,(H,14,15)/t4-,5-,6?,7+,8-/m1/s1
InChIKeyUSWZGXIKGGLZHM-LUDLSAIJSA-N
XLogP-2.00
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-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

(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 14863933
(1R,2R,3R,8S,8aR)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 10774503
1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
CID 107072062
(1S,2R,8S,8aR)-1,2,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131201882
N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide
CID 10946588
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
(1R,2R,3R,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 16760066
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
N-[[(1R,2R,3R,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
CID 91864564
3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 130149283
1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid
CID 69103875
(2S)-1-(dioxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 87275631

Frequently Asked Questions

What is the IUPAC name of (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The IUPAC name of (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid (CID 59125271) is (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid.
What is the SMILES notation for (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The canonical SMILES for (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid is O=C(O)C1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN12.
What is the InChIKey of (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
The InChIKey is USWZGXIKGGLZHM-LUDLSAIJSA-N. The full InChI is InChI=1S/C9H15NO5/c11-4-2-1-3-10-5(4)7(12)8(13)6(10)9(14)15/h4-8,11-13H,1-3H2,(H,14,15)/t4-,5-,6?,7+,8-/m1/s1.
What are the key properties of (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid?
(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -2.00, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid is sourced from PubChem (CID 59125271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).