(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one

C16H29NO2 — CID 18639210

IUPAC(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C16H29NO2/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12/h11-15H,3-10,17H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyBSURHILFCJYYOC-ILXRZTDVSA-N
MW267.41 g/mol
LogP3.26
Rot. Bonds5

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

(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one (PubChem CID 18639210) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one
PubChem CID18639210
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C16H29NO2/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12/h11-15H,3-10,17H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeyBSURHILFCJYYOC-ILXRZTDVSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.26
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-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one (CID 18639210) is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one is CC(C)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-(2-methylpropyl)oxolan-2-one?
The InChIKey is BSURHILFCJYYOC-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)8-13-10-15(19-16(13)18)14(17)9-12-6-4-3-5-7-12/h11-15H,3-10,17H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one?
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 267.41 g/mol, XLogP of 3.26, 5 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-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 18639210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).