methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate

C6H12N2O7S — CID 103491358

IUPACmethyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate
SMILESCOC(=O)NS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C6H12N2O7S/c1-14-5(10)4(9)3-7-16(12,13)8-6(11)15-2/h4,7,9H,3H2,1-2H3,(H,8,11)
InChIKeyLTIGUIDUAXQFGE-UHFFFAOYSA-N
MW256.24 g/mol
LogP-2.29
Rot. Bonds5

About methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate

methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate (PubChem CID 103491358) has the molecular formula C6H12N2O7S and a molecular weight of 256.24 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate
PubChem CID103491358
Molecular FormulaC6H12N2O7S
Molecular Weight256.24 g/mol
Exact Mass256.04
IUPAC Namemethyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate
SMILESCOC(=O)NS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C6H12N2O7S/c1-14-5(10)4(9)3-7-16(12,13)8-6(11)15-2/h4,7,9H,3H2,1-2H3,(H,8,11)
InChIKeyLTIGUIDUAXQFGE-UHFFFAOYSA-N
XLogP-2.29
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate (CID 103491358) is methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate is COC(=O)NS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate?
The InChIKey is LTIGUIDUAXQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O7S/c1-14-5(10)4(9)3-7-16(12,13)8-6(11)15-2/h4,7,9H,3H2,1-2H3,(H,8,11).
What are the key properties of methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate has a molecular weight of 256.24 g/mol, XLogP of -2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate is sourced from PubChem (CID 103491358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).