3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid

C7H15N3O5S — CID 61200932

IUPAC3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NCCC(=O)O
InChIInChI=1S/C7H15N3O5S/c1-16(14,15)10-5-4-9-7(13)8-3-2-6(11)12/h10H,2-5H2,1H3,(H,11,12)(H2,8,9,13)
InChIKeyGHJZFKGUICSPPM-UHFFFAOYSA-N
MW253.28 g/mol
LogP-1.69
Rot. Bonds7

About 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid

3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid (PubChem CID 61200932) has the molecular formula C7H15N3O5S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
PubChem CID61200932
Molecular FormulaC7H15N3O5S
Molecular Weight253.28 g/mol
Exact Mass253.07
IUPAC Name3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
SMILESCS(=O)(=O)NCCNC(=O)NCCC(=O)O
InChIInChI=1S/C7H15N3O5S/c1-16(14,15)10-5-4-9-7(13)8-3-2-6(11)12/h10H,2-5H2,1H3,(H,11,12)(H2,8,9,13)
InChIKeyGHJZFKGUICSPPM-UHFFFAOYSA-N
XLogP-1.69
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid (CID 61200932) is 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid is CS(=O)(=O)NCCNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
The InChIKey is GHJZFKGUICSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O5S/c1-16(14,15)10-5-4-9-7(13)8-3-2-6(11)12/h10H,2-5H2,1H3,(H,11,12)(H2,8,9,13).
What are the key properties of 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid?
3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid has a molecular weight of 253.28 g/mol, XLogP of -1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61200932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).