tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate

C16H26O3S — CID 10891867

IUPACtert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate
SMILESCC(C)[C@@](O)(CCc1ccsc1)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3S/c1-12(2)16(18,8-6-13-7-9-20-11-13)10-14(17)19-15(3,4)5/h7,9,11-12,18H,6,8,10H2,1-5H3/t16-/m1/s1
InChIKeyXSGAYNZBPLKTHA-MRXNPFEDSA-N
MW298.45 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate

tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate (PubChem CID 10891867) has the molecular formula C16H26O3S and a molecular weight of 298.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate
PubChem CID10891867
Molecular FormulaC16H26O3S
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Nametert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate
SMILESCC(C)[C@@](O)(CCc1ccsc1)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3S/c1-12(2)16(18,8-6-13-7-9-20-11-13)10-14(17)19-15(3,4)5/h7,9,11-12,18H,6,8,10H2,1-5H3/t16-/m1/s1
InChIKeyXSGAYNZBPLKTHA-MRXNPFEDSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-hydroxy-4-methyl-3-(2-phenylethyl)pentanoate
CID 54454265
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
tert-butyl 4-(4-thiophen-3-ylbutyl)piperazine-1-carboxylate
CID 112717934
(2S,3S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-3-ylbutanoic acid
CID 95476060
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
tert-butyl N-[(1R)-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 114986293
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 7009122
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoate
CID 162423961
3-O-tert-butyl 1-O-thiophen-3-yl propanedioate
CID 159299934
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate?
The IUPAC name of tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate (CID 10891867) is tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate.
What is the SMILES notation for tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate?
The canonical SMILES for tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate is CC(C)[C@@](O)(CCc1ccsc1)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate?
The InChIKey is XSGAYNZBPLKTHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26O3S/c1-12(2)16(18,8-6-13-7-9-20-11-13)10-14(17)19-15(3,4)5/h7,9,11-12,18H,6,8,10H2,1-5H3/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate?
tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate has a molecular weight of 298.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate is sourced from PubChem (CID 10891867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).