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

C8H20N4O4S — CID 87289613

IUPAC2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid
SMILESCN(C)CCCN(CC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C8H20N4O4S/c1-11(2)4-3-5-12(17(10,15)16)6-7(9)8(13)14/h7H,3-6,9H2,1-2H3,(H,13,14)(H2,10,15,16)
InChIKeyBKTLDJWXVLOMOI-UHFFFAOYSA-N
MW268.34 g/mol
LogP-2.14
Rot. Bonds8

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

2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid (PubChem CID 87289613) has the molecular formula C8H20N4O4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid
PubChem CID87289613
Molecular FormulaC8H20N4O4S
Molecular Weight268.34 g/mol
Exact Mass268.12
IUPAC Name2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid
SMILESCN(C)CCCN(CC(N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C8H20N4O4S/c1-11(2)4-3-5-12(17(10,15)16)6-7(9)8(13)14/h7H,3-6,9H2,1-2H3,(H,13,14)(H2,10,15,16)
InChIKeyBKTLDJWXVLOMOI-UHFFFAOYSA-N
XLogP-2.14
TPSA129.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid?
The IUPAC name of 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid (CID 87289613) is 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid is CN(C)CCCN(CC(N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid?
The InChIKey is BKTLDJWXVLOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O4S/c1-11(2)4-3-5-12(17(10,15)16)6-7(9)8(13)14/h7H,3-6,9H2,1-2H3,(H,13,14)(H2,10,15,16).
What are the key properties of 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid?
2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid has a molecular weight of 268.34 g/mol, XLogP of -2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(dimethylamino)propyl-sulfamoylamino]propanoic acid is sourced from PubChem (CID 87289613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).