4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid

C11H21NO6S — CID 66252056

IUPAC4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)CCOC
InChIInChI=1S/C11H21NO6S/c1-3-4-12(19(15,16)6-5-17-2)10-8-18-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYXLVFLWIUQUAEA-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.23
Rot. Bonds8

About 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid

4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252056) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66252056
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C1COCC1C(=O)O)S(=O)(=O)CCOC
InChIInChI=1S/C11H21NO6S/c1-3-4-12(19(15,16)6-5-17-2)10-8-18-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYXLVFLWIUQUAEA-UHFFFAOYSA-N
XLogP-0.23
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236776
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66247631
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
CID 66253469
4-[(3-bromothiophen-2-yl)sulfonyl-propylamino]oxolane-3-carboxylic acid
CID 66253020
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid (CID 66252056) is 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C1COCC1C(=O)O)S(=O)(=O)CCOC.
What is the InChIKey of 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YXLVFLWIUQUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-3-4-12(19(15,16)6-5-17-2)10-8-18-7-9(10)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid?
4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of -0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).