2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol

C15H22FNO2 — CID 50983829

IUPAC2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol
SMILESOCC(CO)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c16-13-6-4-11(5-7-13)8-12-2-1-3-15(12)17-14(9-18)10-19/h4-7,12,14-15,17-19H,1-3,8-10H2/t12-,15-/m0/s1
InChIKeyQNZIMAYGMBOSHN-WFASDCNBSA-N
MW267.34 g/mol
LogP1.48
Rot. Bonds6

About 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol

2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol (PubChem CID 50983829) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol
PubChem CID50983829
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol
SMILESOCC(CO)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c16-13-6-4-11(5-7-13)8-12-2-1-3-15(12)17-14(9-18)10-19/h4-7,12,14-15,17-19H,1-3,8-10H2/t12-,15-/m0/s1
InChIKeyQNZIMAYGMBOSHN-WFASDCNBSA-N
XLogP1.48
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol (CID 50983829) is 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol is OCC(CO)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol?
The InChIKey is QNZIMAYGMBOSHN-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22FNO2/c16-13-6-4-11(5-7-13)8-12-2-1-3-15(12)17-14(9-18)10-19/h4-7,12,14-15,17-19H,1-3,8-10H2/t12-,15-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol?
2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol has a molecular weight of 267.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]propane-1,3-diol is sourced from PubChem (CID 50983829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).