ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate

C9H17NO5S — CID 79589738

IUPACethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)CCO
InChIInChI=1S/C9H17NO5S/c1-2-15-9(12)7-10(8-3-4-8)16(13,14)6-5-11/h8,11H,2-7H2,1H3
InChIKeyWXHDDVWGEQXKLN-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.66
Rot. Bonds7

About ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate

ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate (PubChem CID 79589738) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
PubChem CID79589738
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)CCO
InChIInChI=1S/C9H17NO5S/c1-2-15-9(12)7-10(8-3-4-8)16(13,14)6-5-11/h8,11H,2-7H2,1H3
InChIKeyWXHDDVWGEQXKLN-UHFFFAOYSA-N
XLogP-0.66
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82842680
ethyl 2-[tert-butylsulfamoyl(cyclopropyl)amino]acetate
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CID 61384357
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
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ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
CID 79199605
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
CID 62027795
ethyl 3-[butylsulfonyl(cyclopropyl)amino]-2-methylpropanoate
CID 84569914
2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 54983488
ethyl 2-[cyclopropyl-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710366
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
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ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate (CID 79589738) is ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)CCO.
What is the InChIKey of ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate?
The InChIKey is WXHDDVWGEQXKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-2-15-9(12)7-10(8-3-4-8)16(13,14)6-5-11/h8,11H,2-7H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate?
ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate has a molecular weight of 251.30 g/mol, XLogP of -0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2-hydroxyethylsulfonyl)amino]acetate is sourced from PubChem (CID 79589738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).