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

C6H13NO2 — CID 134358361

IUPACcis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1CC(CO)[C@@H](O)C1
InChIInChI=1S/C6H13NO2/c7-5-1-4(3-8)6(9)2-5/h4-6,8-9H,1-3,7H2/t4?,5-,6+/m1/s1
InChIKeyXZINXOOZVCWXSP-UVCATTPVSA-N
MW131.17 g/mol
LogP-0.92
Rot. Bonds1

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

cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 134358361) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID134358361
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namecis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1CC(CO)[C@@H](O)C1
InChIInChI=1S/C6H13NO2/c7-5-1-4(3-8)6(9)2-5/h4-6,8-9H,1-3,7H2/t4?,5-,6+/m1/s1
InChIKeyXZINXOOZVCWXSP-UVCATTPVSA-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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Related Compounds

5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
(1R,2R,4R)-2-amino-4-(hydroxymethyl)cyclopentan-1-ol
CID 55284947
4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
CID 167680665
CID 167680665
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
[(2R,4S)-4-amino-2-ethenylcyclopentyl]methanol
CID 155129113
(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072
(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 131196259
4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
CID 176808725

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol (CID 134358361) is cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol is N[C@@H]1CC(CO)[C@@H](O)C1.
What is the InChIKey of cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is XZINXOOZVCWXSP-UVCATTPVSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-1-4(3-8)6(9)2-5/h4-6,8-9H,1-3,7H2/t4?,5-,6+/m1/s1.
What are the key properties of cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol?
cis-(1S,4R)-4-amino-2-(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 cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 134358361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).