2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid

C10H19NO5S — CID 63245775

IUPAC2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19NO5S/c1-2-16-5-6-17(14,15)11(8-10(12)13)7-9-3-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeySPSQKVBFBTZLBR-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.15
Rot. Bonds9

About 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid

2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid (PubChem CID 63245775) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
PubChem CID63245775
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
SMILESCCOCCS(=O)(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H19NO5S/c1-2-16-5-6-17(14,15)11(8-10(12)13)7-9-3-4-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeySPSQKVBFBTZLBR-UHFFFAOYSA-N
XLogP0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
2-[tert-butyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 79268992
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)methylsulfonyl]amino]acetic acid
CID 167969467
methyl 3-[2-ethoxyethylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964117
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid (CID 63245775) is 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid is CCOCCS(=O)(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid?
The InChIKey is SPSQKVBFBTZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-16-5-6-17(14,15)11(8-10(12)13)7-9-3-4-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid?
2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 63245775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).