2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid

C7H18N4O4S — CID 87289653

IUPAC2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
SMILESCN(C)CCN(CC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C7H18N4O4S/c1-10(2)3-4-11(16(9,14)15)5-6(8)7(12)13/h6H,3-5,8H2,1-2H3,(H,12,13)(H2,9,14,15)
InChIKeyGDYOLHVLXYRSKL-UHFFFAOYSA-N
MW254.31 g/mol
LogP-2.53
Rot. Bonds7

About 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid

2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid (PubChem CID 87289653) has the molecular formula C7H18N4O4S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
PubChem CID87289653
Molecular FormulaC7H18N4O4S
Molecular Weight254.31 g/mol
Exact Mass254.10
IUPAC Name2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
SMILESCN(C)CCN(CC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C7H18N4O4S/c1-10(2)3-4-11(16(9,14)15)5-6(8)7(12)13/h6H,3-5,8H2,1-2H3,(H,12,13)(H2,9,14,15)
InChIKeyGDYOLHVLXYRSKL-UHFFFAOYSA-N
XLogP-2.53
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
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(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid?
The IUPAC name of 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid (CID 87289653) is 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid is CN(C)CCN(CC(N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid?
The InChIKey is GDYOLHVLXYRSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O4S/c1-10(2)3-4-11(16(9,14)15)5-6(8)7(12)13/h6H,3-5,8H2,1-2H3,(H,12,13)(H2,9,14,15).
What are the key properties of 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid?
2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid has a molecular weight of 254.31 g/mol, XLogP of -2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid is sourced from PubChem (CID 87289653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).