(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol

C8H17NO3 — CID 156705407

IUPAC(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol
SMILESC[C@]1(CO)C[C@@H](N)[C@H](O)[C@]1(C)O
InChIInChI=1S/C8H17NO3/c1-7(4-10)3-5(9)6(11)8(7,2)12/h5-6,10-12H,3-4,9H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyZKUJNPHXANAZFJ-CWKFCGSDSA-N
MW175.23 g/mol
LogP-1.17
Rot. Bonds1

About (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol

(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol (PubChem CID 156705407) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol
PubChem CID156705407
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol
SMILESC[C@]1(CO)C[C@@H](N)[C@H](O)[C@]1(C)O
InChIInChI=1S/C8H17NO3/c1-7(4-10)3-5(9)6(11)8(7,2)12/h5-6,10-12H,3-4,9H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyZKUJNPHXANAZFJ-CWKFCGSDSA-N
XLogP-1.17
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
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(5-amino-2,2-dimethyloxan-4-yl)methanol
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[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol (CID 156705407) is (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol is C[C@]1(CO)C[C@@H](N)[C@H](O)[C@]1(C)O.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol?
The InChIKey is ZKUJNPHXANAZFJ-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(4-10)3-5(9)6(11)8(7,2)12/h5-6,10-12H,3-4,9H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol has a molecular weight of 175.23 g/mol, XLogP of -1.17, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)-1,5-dimethylcyclopentane-1,2-diol is sourced from PubChem (CID 156705407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).