(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one

C15H27NO2 — CID 14409476

IUPAC(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14H,3-9,16H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyRIJKESWRYNDYGY-RDBSUJKOSA-N
MW253.39 g/mol
LogP2.87
Rot. Bonds4

About (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one

(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one (PubChem CID 14409476) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one
PubChem CID14409476
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14H,3-9,16H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyRIJKESWRYNDYGY-RDBSUJKOSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one (CID 14409476) is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one is CC(C)[C@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one?
The InChIKey is RIJKESWRYNDYGY-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)12-9-14(18-15(12)17)13(16)8-11-6-4-3-5-7-11/h10-14H,3-9,16H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one?
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 14409476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).