(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide

C6H14BrNO2 — CID 68911707

IUPAC(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide
SMILESBr.N[C@@H]1C[C@@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H13NO2.BrH/c7-5-1-4(3-8)6(9)2-5;/h4-6,8-9H,1-3,7H2;1H/t4-,5+,6-;/m0./s1
InChIKeySGHBZTGGYMWXHN-YAFCINRGSA-N
MW212.09 g/mol
LogP-0.35
Rot. Bonds1

About (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide

(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide (PubChem CID 68911707) has the molecular formula C6H14BrNO2 and a molecular weight of 212.09 g/mol. Its IUPAC name is (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide.

Molecular Properties

Compound Name(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide
PubChem CID68911707
Molecular FormulaC6H14BrNO2
Molecular Weight212.09 g/mol
Exact Mass211.02
IUPAC Name(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide
SMILESBr.N[C@@H]1C[C@@H](CO)[C@@H](O)C1
InChIInChI=1S/C6H13NO2.BrH/c7-5-1-4(3-8)6(9)2-5;/h4-6,8-9H,1-3,7H2;1H/t4-,5+,6-;/m0./s1
InChIKeySGHBZTGGYMWXHN-YAFCINRGSA-N
XLogP-0.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide?
The IUPAC name of (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide (CID 68911707) is (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide.
What is the SMILES notation for (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide?
The canonical SMILES for (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide is Br.N[C@@H]1C[C@@H](CO)[C@@H](O)C1.
What is the InChIKey of (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide?
The InChIKey is SGHBZTGGYMWXHN-YAFCINRGSA-N. The full InChI is InChI=1S/C6H13NO2.BrH/c7-5-1-4(3-8)6(9)2-5;/h4-6,8-9H,1-3,7H2;1H/t4-,5+,6-;/m0./s1.
What are the key properties of (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide?
(1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide has a molecular weight of 212.09 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrobromide is sourced from PubChem (CID 68911707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).