2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid

C11H24N4O5S — CID 70945900

IUPAC2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H24N4O5S/c12-10(11(16)17)2-4-14-21(18,19)13-3-1-5-15-6-8-20-9-7-15/h10,13-14H,1-9,12H2,(H,16,17)
InChIKeyQLLZCRSFBQEXDH-UHFFFAOYSA-N
MW324.40 g/mol
LogP-2.07
Rot. Bonds10

About 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid

2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid (PubChem CID 70945900) has the molecular formula C11H24N4O5S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid
PubChem CID70945900
Molecular FormulaC11H24N4O5S
Molecular Weight324.40 g/mol
Exact Mass324.15
IUPAC Name2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C11H24N4O5S/c12-10(11(16)17)2-4-14-21(18,19)13-3-1-5-15-6-8-20-9-7-15/h10,13-14H,1-9,12H2,(H,16,17)
InChIKeyQLLZCRSFBQEXDH-UHFFFAOYSA-N
XLogP-2.07
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid (CID 70945900) is 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid is NC(CCNS(=O)(=O)NCCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid?
The InChIKey is QLLZCRSFBQEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O5S/c12-10(11(16)17)2-4-14-21(18,19)13-3-1-5-15-6-8-20-9-7-15/h10,13-14H,1-9,12H2,(H,16,17).
What are the key properties of 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid?
2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid has a molecular weight of 324.40 g/mol, XLogP of -2.07, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-morpholin-4-ylpropylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).