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

C15H24ClNO2 — CID 18634542

IUPAC(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one
SMILESC=C(Cl)C[C@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H24ClNO2/c1-10(16)7-12-9-14(19-15(12)18)13(17)8-11-5-3-2-4-6-11/h11-14H,1-9,17H2/t12-,13-,14-/m0/s1
InChIKeyCTRXSNYZWKPJEV-IHRRRGAJSA-N
MW285.82 g/mol
LogP3.36
Rot. Bonds5

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

(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one (PubChem CID 18634542) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one
PubChem CID18634542
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one
SMILESC=C(Cl)C[C@H]1C[C@@H]([C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C15H24ClNO2/c1-10(16)7-12-9-14(19-15(12)18)13(17)8-11-5-3-2-4-6-11/h11-14H,1-9,17H2/t12-,13-,14-/m0/s1
InChIKeyCTRXSNYZWKPJEV-IHRRRGAJSA-N
XLogP3.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one with MolForge

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Related Compounds

(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-butyloxolan-2-one
CID 57003776
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-butyloxolan-2-one;hydrochloride
CID 67905931
tert-butyl-[2-cyclohexyl-1-[4-(2-methylprop-2-enyl)-5-oxooxolan-2-yl]ethyl]carbamic acid
CID 70066966
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
CID 141086747
(3S,5S)-5-[(1R)-2-cyclohexyl-1-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 14411946
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
tert-butyl N-[1-[4-(4-bromobut-2-enyl)-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamate
CID 54107649
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
(3S,5S)-5-[(1R)-1-bromo-2-cycloheptylethyl]-3-propan-2-yloxolan-2-one
CID 18637728
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-[(3,4-dichlorophenyl)methyl]-5-oxooxolan-2-yl]ethyl]carbamate
CID 15708326
[(1S)-1-[(2S,4S)-4-butan-2-yl-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamic acid
CID 18642989

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one (CID 18634542) is (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one is C=C(Cl)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-chloroprop-2-enyl)oxolan-2-one?
The InChIKey is CTRXSNYZWKPJEV-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-10(16)7-12-9-14(19-15(12)18)13(17)8-11-5-3-2-4-6-11/h11-14H,1-9,17H2/t12-,13-,14-/m0/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one?
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-(2-chloroprop-2-enyl)oxolan-2-one has a molecular weight of 285.82 g/mol, XLogP of 3.36, 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-chloroprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 18634542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).