[(1S,3S)-3-aminocyclopentyl]methanediol

C6H13NO2 — CID 156547371

IUPAC[(1S,3S)-3-aminocyclopentyl]methanediol
SMILESN[C@H]1CC[C@H](C(O)O)C1
InChIInChI=1S/C6H13NO2/c7-5-2-1-4(3-5)6(8)9/h4-6,8-9H,1-3,7H2/t4-,5-/m0/s1
InChIKeyZYANUEKCFCIBBI-WHFBIAKZSA-N
MW131.18 g/mol
LogP-0.58
Rot. Bonds1

About [(1S,3S)-3-aminocyclopentyl]methanediol

[(1S,3S)-3-aminocyclopentyl]methanediol (PubChem CID 156547371) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl]methanediol.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclopentyl]methanediol
PubChem CID156547371
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(1S,3S)-3-aminocyclopentyl]methanediol
SMILESN[C@H]1CC[C@H](C(O)O)C1
InChIInChI=1S/C6H13NO2/c7-5-2-1-4(3-5)6(8)9/h4-6,8-9H,1-3,7H2/t4-,5-/m0/s1
InChIKeyZYANUEKCFCIBBI-WHFBIAKZSA-N
XLogP-0.58
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl]methanediol?
The IUPAC name of [(1S,3S)-3-aminocyclopentyl]methanediol (CID 156547371) is [(1S,3S)-3-aminocyclopentyl]methanediol.
What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl]methanediol?
The canonical SMILES for [(1S,3S)-3-aminocyclopentyl]methanediol is N[C@H]1CC[C@H](C(O)O)C1.
What is the InChIKey of [(1S,3S)-3-aminocyclopentyl]methanediol?
The InChIKey is ZYANUEKCFCIBBI-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-2-1-4(3-5)6(8)9/h4-6,8-9H,1-3,7H2/t4-,5-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclopentyl]methanediol?
[(1S,3S)-3-aminocyclopentyl]methanediol has a molecular weight of 131.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclopentyl]methanediol is sourced from PubChem (CID 156547371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).