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

C6H13NO2 — CID 55284947

IUPAC(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](CO)C[C@H]1O
InChIInChI=1S/C6H13NO2/c7-5-1-4(3-8)2-6(5)9/h4-6,8-9H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyHTRVRQODPWDMNN-HSUXUTPPSA-N
MW131.17 g/mol
LogP-0.92
Rot. Bonds1

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

(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 55284947) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
PubChem CID55284947
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](CO)C[C@H]1O
InChIInChI=1S/C6H13NO2/c7-5-1-4(3-8)2-6(5)9/h4-6,8-9H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyHTRVRQODPWDMNN-HSUXUTPPSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol (CID 55284947) is (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol is N[C@@H]1C[C@@H](CO)C[C@H]1O.
What is the InChIKey of (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is HTRVRQODPWDMNN-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-1-4(3-8)2-6(5)9/h4-6,8-9H,1-3,7H2/t4-,5-,6-/m1/s1.
What are the key properties of (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 131.17 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 55284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).