2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid

C10H19NO4S — CID 106727614

IUPAC2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCS(=O)(=O)C(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-5-11(8-10(12)13)6-7-16(14,15)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyAGCXWQQVSJVEBL-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.38
Rot. Bonds8

About 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid

2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid (PubChem CID 106727614) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
PubChem CID106727614
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCS(=O)(=O)C(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-4-5-11(8-10(12)13)6-7-16(14,15)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyAGCXWQQVSJVEBL-UHFFFAOYSA-N
XLogP0.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275630
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[prop-2-enyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
CID 79275387
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
CID 103181355
2-[2-[carboxymethyl-[2-[2-ethenylsulfonylethyl(ethyl)amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 156870757
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid (CID 106727614) is 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid is C=CCN(CCS(=O)(=O)C(C)C)CC(=O)O.
What is the InChIKey of 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is AGCXWQQVSJVEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-5-11(8-10(12)13)6-7-16(14,15)9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid?
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 106727614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).