(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol

C6H11NO3 — CID 166449152

IUPAC(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)C=C[C@H]1O
InChIInChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyVLRFQNZNJBAYJG-ZXXMMSQZSA-N
MW145.16 g/mol
LogP-2.03
Rot. Bonds

About (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol

(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol (PubChem CID 166449152) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol.

Molecular Properties

Compound Name(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol
PubChem CID166449152
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)C=C[C@H]1O
InChIInChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2/t3-,4-,5+,6+/m1/s1
InChIKeyVLRFQNZNJBAYJG-ZXXMMSQZSA-N
XLogP-2.03
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
CID 10486977
cyclobut-3-ene-1,2-diol
CID 12513563
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
(1R,2R,3S,4R)-5-aminocyclopentane-1,2,3,4-tetrol
CID 42628065
[(1S,4S,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]azanium chloride
CID 10943088
(2R,5R)-5-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 121320949
(3aS,4S,5R,7aS)-3a,4,5,7a-tetrahydro-3H-indazole-4,5-diol
CID 131107074
(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol
CID 11332959
(1R,2S,5R)-5-(2-hydroxyethyl)cyclopent-3-ene-1,2-diol
CID 10654329
(1R,2R,3R,6S)-6-[methyl-[(1S,4R,5R,6R)-4,5,6-trihydroxycyclohex-2-en-1-yl]amino]cyclohex-4-ene-1,2,3-triol
CID 71215418
6-methoxycyclohex-4-ene-1,2,3-triol
CID 85238693

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol?
The IUPAC name of (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol (CID 166449152) is (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol.
What is the SMILES notation for (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol?
The canonical SMILES for (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol is N[C@@H]1[C@@H](O)[C@H](O)C=C[C@H]1O.
What is the InChIKey of (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol?
The InChIKey is VLRFQNZNJBAYJG-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H11NO3/c7-5-3(8)1-2-4(9)6(5)10/h1-6,8-10H,7H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol?
(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol has a molecular weight of 145.16 g/mol, XLogP of -2.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol is sourced from PubChem (CID 166449152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).