2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol

C9H17NO2 — CID 138701451

IUPAC2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol
SMILESC[C@@H]1C=C[C@@H](N)[C@@H]1OC(C)(C)O
InChIInChI=1S/C9H17NO2/c1-6-4-5-7(10)8(6)12-9(2,3)11/h4-8,11H,10H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeyUEWBXUDCWZAVCH-BWZBUEFSSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds2

About 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol

2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol (PubChem CID 138701451) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol.

Molecular Properties

Compound Name2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol
PubChem CID138701451
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol
SMILESC[C@@H]1C=C[C@@H](N)[C@@H]1OC(C)(C)O
InChIInChI=1S/C9H17NO2/c1-6-4-5-7(10)8(6)12-9(2,3)11/h4-8,11H,10H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeyUEWBXUDCWZAVCH-BWZBUEFSSA-N
XLogP0.63
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol?
The IUPAC name of 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol (CID 138701451) is 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol.
What is the SMILES notation for 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol?
The canonical SMILES for 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol is C[C@@H]1C=C[C@@H](N)[C@@H]1OC(C)(C)O.
What is the InChIKey of 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol?
The InChIKey is UEWBXUDCWZAVCH-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-4-5-7(10)8(6)12-9(2,3)11/h4-8,11H,10H2,1-3H3/t6-,7-,8-/m1/s1.
What are the key properties of 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol?
2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol has a molecular weight of 171.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R)-2-amino-5-methylcyclopent-3-en-1-yl]oxypropan-2-ol is sourced from PubChem (CID 138701451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).