(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid

C8H15NO5 — CID 155264162

IUPAC(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid
SMILESNCC[C@H]1OC(O)(C(=O)O)CC[C@H]1O
InChIInChI=1S/C8H15NO5/c9-4-2-6-5(10)1-3-8(13,14-6)7(11)12/h5-6,10,13H,1-4,9H2,(H,11,12)/t5-,6-,8?/m1/s1
InChIKeyGROBHMAMGJQBJV-LPBDRPKESA-N
MW205.21 g/mol
LogP-1.35
Rot. Bonds3

About (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid

(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid (PubChem CID 155264162) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid
PubChem CID155264162
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid
SMILESNCC[C@H]1OC(O)(C(=O)O)CC[C@H]1O
InChIInChI=1S/C8H15NO5/c9-4-2-6-5(10)1-3-8(13,14-6)7(11)12/h5-6,10,13H,1-4,9H2,(H,11,12)/t5-,6-,8?/m1/s1
InChIKeyGROBHMAMGJQBJV-LPBDRPKESA-N
XLogP-1.35
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-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

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid (CID 155264162) is (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid is NCC[C@H]1OC(O)(C(=O)O)CC[C@H]1O.
What is the InChIKey of (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid?
The InChIKey is GROBHMAMGJQBJV-LPBDRPKESA-N. The full InChI is InChI=1S/C8H15NO5/c9-4-2-6-5(10)1-3-8(13,14-6)7(11)12/h5-6,10,13H,1-4,9H2,(H,11,12)/t5-,6-,8?/m1/s1.
What are the key properties of (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid?
(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 155264162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).