trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol

C11H23NO2 — CID 106349423

IUPACtrans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
SMILESCC(C)C(CCO)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-8(2)9(6-7-13)12-10-4-3-5-11(10)14/h8-14H,3-7H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyYYQLAUSOVMPFAQ-DVRYWGNFSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds5

About trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol (PubChem CID 106349423) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
PubChem CID106349423
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
SMILESCC(C)C(CCO)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-8(2)9(6-7-13)12-10-4-3-5-11(10)14/h8-14H,3-7H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyYYQLAUSOVMPFAQ-DVRYWGNFSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol (CID 106349423) is trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol is CC(C)C(CCO)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol?
The InChIKey is YYQLAUSOVMPFAQ-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)9(6-7-13)12-10-4-3-5-11(10)14/h8-14H,3-7H2,1-2H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 106349423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).