[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate

C16H19NO6S2 — CID 8976506

IUPAC[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C16H19NO6S2/c1-10(14(19)17-16(20)21-2)23-13(18)9-22-12-6-4-3-5-11(12)15-24-7-8-25-15/h3-6,10,15H,7-9H2,1-2H3,(H,17,19,20)/t10-/m0/s1
InChIKeyHLKNHRZUTDUHKC-JTQLQIEISA-N
MW385.46 g/mol
LogP2.36
Rot. Bonds6

About [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate

[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate (PubChem CID 8976506) has the molecular formula C16H19NO6S2 and a molecular weight of 385.46 g/mol. Its IUPAC name is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
PubChem CID8976506
Molecular FormulaC16H19NO6S2
Molecular Weight385.46 g/mol
Exact Mass385.07
IUPAC Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C16H19NO6S2/c1-10(14(19)17-16(20)21-2)23-13(18)9-22-12-6-4-3-5-11(12)15-24-7-8-25-15/h3-6,10,15H,7-9H2,1-2H3,(H,17,19,20)/t10-/m0/s1
InChIKeyHLKNHRZUTDUHKC-JTQLQIEISA-N
XLogP2.36
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate 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

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063449
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063506
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-ditert-butylphenoxy)acetate
CID 9061499
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
CID 9184223
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263825
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24545612
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 8914154
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9032046

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate?
The IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate (CID 8976506) is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate.
What is the SMILES notation for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate?
The canonical SMILES for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate is COC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C1SCCS1.
What is the InChIKey of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate?
The InChIKey is HLKNHRZUTDUHKC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19NO6S2/c1-10(14(19)17-16(20)21-2)23-13(18)9-22-12-6-4-3-5-11(12)15-24-7-8-25-15/h3-6,10,15H,7-9H2,1-2H3,(H,17,19,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate?
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate has a molecular weight of 385.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate is sourced from PubChem (CID 8976506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).