(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol

C6H11NO2 — CID 66806176

IUPAC(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESN[C@@H]1C=C(CO)[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h1,5-6,8-9H,2-3,7H2/t5-,6+/m1/s1
InChIKeyRGPDZLZNMBVXJK-RITPCOANSA-N
MW129.16 g/mol
LogP-1.00
Rot. Bonds1

About (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol

(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol (PubChem CID 66806176) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol
PubChem CID66806176
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESN[C@@H]1C=C(CO)[C@@H](O)C1
InChIInChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h1,5-6,8-9H,2-3,7H2/t5-,6+/m1/s1
InChIKeyRGPDZLZNMBVXJK-RITPCOANSA-N
XLogP-1.00
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol (CID 66806176) is (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol is N[C@@H]1C=C(CO)[C@@H](O)C1.
What is the InChIKey of (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The InChIKey is RGPDZLZNMBVXJK-RITPCOANSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-1-4(3-8)6(9)2-5/h1,5-6,8-9H,2-3,7H2/t5-,6+/m1/s1.
What are the key properties of (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol?
(1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol has a molecular weight of 129.16 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-amino-2-(hydroxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 66806176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).