methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate

C8H15NO5S — CID 60719747

IUPACmethyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
SMILESCOC(=O)CCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C8H15NO5S/c1-14-8(11)2-3-9-6-4-15(12,13)5-7(6)10/h6-7,9-10H,2-5H2,1H3
InChIKeyNJIFPISWMVZERE-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.70
Rot. Bonds4

About methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate

methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate (PubChem CID 60719747) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
PubChem CID60719747
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Namemethyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
SMILESCOC(=O)CCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C8H15NO5S/c1-14-8(11)2-3-9-6-4-15(12,13)5-7(6)10/h6-7,9-10H,2-5H2,1H3
InChIKeyNJIFPISWMVZERE-UHFFFAOYSA-N
XLogP-1.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate with MolForge

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Related Compounds

(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
N-cyclopropyl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide
CID 79394521
(3R,4S)-4-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-ol
CID 1383919
methyl 3-(4-hydroxy-1,1-dioxothiolan-3-yl)propanoate
CID 105479136
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
6-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-4,4-dimethylhexanoic acid
CID 65289067
N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
CID 60884251
4-(3-methylsulfanylpropylamino)-1,1-dioxothiolan-3-ol
CID 63966904
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate (CID 60719747) is methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate is COC(=O)CCNC1CS(=O)(=O)CC1O.
What is the InChIKey of methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate?
The InChIKey is NJIFPISWMVZERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-8(11)2-3-9-6-4-15(12,13)5-7(6)10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate?
methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate has a molecular weight of 237.28 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate is sourced from PubChem (CID 60719747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).