(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol

C12H17NO — CID 166640244

IUPAC(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
SMILESN[C@H]1C[C@H](Cc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C12H17NO/c13-11-7-10(12(14)8-11)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8,13H2/t10-,11-,12-/m0/s1
InChIKeyFMPSRPKYBHQTGS-SRVKXCTJSA-N
MW191.27 g/mol
LogP1.33
Rot. Bonds2

About (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol

(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol (PubChem CID 166640244) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
PubChem CID166640244
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
SMILESN[C@H]1C[C@H](Cc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C12H17NO/c13-11-7-10(12(14)8-11)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8,13H2/t10-,11-,12-/m0/s1
InChIKeyFMPSRPKYBHQTGS-SRVKXCTJSA-N
XLogP1.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol (CID 166640244) is (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol is N[C@H]1C[C@H](Cc2ccccc2)[C@@H](O)C1.
What is the InChIKey of (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol?
The InChIKey is FMPSRPKYBHQTGS-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-7-10(12(14)8-11)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8,13H2/t10-,11-,12-/m0/s1.
What are the key properties of (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol?
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol is sourced from PubChem (CID 166640244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).