methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate

C17H20N2O4S — CID 95304851

IUPACmethyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C17H20N2O4S/c1-11-6-9-15(14-5-4-10-18-16(11)14)24(21,22)19(13-7-8-13)12(2)17(20)23-3/h4-6,9-10,12-13H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyNUTXQESHZSZUBG-GFCCVEGCSA-N
MW348.42 g/mol
LogP2.26
Rot. Bonds5

About methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate

methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate (PubChem CID 95304851) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate
PubChem CID95304851
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(C)c2ncccc12
InChIInChI=1S/C17H20N2O4S/c1-11-6-9-15(14-5-4-10-18-16(11)14)24(21,22)19(13-7-8-13)12(2)17(20)23-3/h4-6,9-10,12-13H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyNUTXQESHZSZUBG-GFCCVEGCSA-N
XLogP2.26
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate?
The IUPAC name of methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate (CID 95304851) is methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate is COC(=O)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(C)c2ncccc12.
What is the InChIKey of methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate?
The InChIKey is NUTXQESHZSZUBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-6-9-15(14-5-4-10-18-16(11)14)24(21,22)19(13-7-8-13)12(2)17(20)23-3/h4-6,9-10,12-13H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate?
methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate has a molecular weight of 348.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[cyclopropyl-(8-methylquinolin-5-yl)sulfonylamino]propanoate is sourced from PubChem (CID 95304851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).