(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol

C7H13N3O4 — CID 165344017

IUPAC(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol
SMILESNc1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1
InChIInChI=1S/C7H13N3O4/c8-7-9-1-3(10-7)5(13)6(14)4(12)2-11/h1,4-6,11-14H,2H2,(H3,8,9,10)/t4-,5-,6-/m1/s1
InChIKeyZSGPCVUPZHUHKL-HSUXUTPPSA-N
MW203.20 g/mol
LogP-2.26
Rot. Bonds4

About (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol

(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol (PubChem CID 165344017) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol
PubChem CID165344017
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol
SMILESNc1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1
InChIInChI=1S/C7H13N3O4/c8-7-9-1-3(10-7)5(13)6(14)4(12)2-11/h1,4-6,11-14H,2H2,(H3,8,9,10)/t4-,5-,6-/m1/s1
InChIKeyZSGPCVUPZHUHKL-HSUXUTPPSA-N
XLogP-2.26
TPSA135.62 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol 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 (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol (CID 165344017) is (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol is Nc1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1.
What is the InChIKey of (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol?
The InChIKey is ZSGPCVUPZHUHKL-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-7-9-1-3(10-7)5(13)6(14)4(12)2-11/h1,4-6,11-14H,2H2,(H3,8,9,10)/t4-,5-,6-/m1/s1.
What are the key properties of (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol?
(1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol has a molecular weight of 203.20 g/mol, XLogP of -2.26, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-(2-amino-1H-imidazol-5-yl)butane-1,2,3,4-tetrol is sourced from PubChem (CID 165344017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).