methyl 2-(3-ethylsulfonylpropylamino)propanoate

C9H19NO4S — CID 65092726

IUPACmethyl 2-(3-ethylsulfonylpropylamino)propanoate
SMILESCCS(=O)(=O)CCCNC(C)C(=O)OC
InChIInChI=1S/C9H19NO4S/c1-4-15(12,13)7-5-6-10-8(2)9(11)14-3/h8,10H,4-7H2,1-3H3
InChIKeyZPGOXZOXCVNTER-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.04
Rot. Bonds7

About methyl 2-(3-ethylsulfonylpropylamino)propanoate

methyl 2-(3-ethylsulfonylpropylamino)propanoate (PubChem CID 65092726) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 2-(3-ethylsulfonylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-ethylsulfonylpropylamino)propanoate
PubChem CID65092726
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-(3-ethylsulfonylpropylamino)propanoate
SMILESCCS(=O)(=O)CCCNC(C)C(=O)OC
InChIInChI=1S/C9H19NO4S/c1-4-15(12,13)7-5-6-10-8(2)9(11)14-3/h8,10H,4-7H2,1-3H3
InChIKeyZPGOXZOXCVNTER-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylsulfonylpropylamino)-N-(2-methoxyethyl)propanamide
CID 113407022
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
methyl 2-(3-trimethoxysilylpropylamino)propanoate
CID 90838923
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
3-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]propane-1-sulfonic acid
CID 58931864
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
CID 115647762
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylsulfonylpropylamino)propanoate?
The IUPAC name of methyl 2-(3-ethylsulfonylpropylamino)propanoate (CID 65092726) is methyl 2-(3-ethylsulfonylpropylamino)propanoate.
What is the SMILES notation for methyl 2-(3-ethylsulfonylpropylamino)propanoate?
The canonical SMILES for methyl 2-(3-ethylsulfonylpropylamino)propanoate is CCS(=O)(=O)CCCNC(C)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethylsulfonylpropylamino)propanoate?
The InChIKey is ZPGOXZOXCVNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-15(12,13)7-5-6-10-8(2)9(11)14-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 2-(3-ethylsulfonylpropylamino)propanoate?
methyl 2-(3-ethylsulfonylpropylamino)propanoate has a molecular weight of 237.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylsulfonylpropylamino)propanoate is sourced from PubChem (CID 65092726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).