2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid

C9H19N3O5S — CID 70945385

IUPAC2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-11-18(15,16)12-7-2-5-17-6-3-7/h7-8,11-12H,1-6,10H2,(H,13,14)
InChIKeyNZJZDOOTRSIETF-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.61
Rot. Bonds7

About 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid

2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid (PubChem CID 70945385) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid
PubChem CID70945385
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NC1CCOCC1)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-11-18(15,16)12-7-2-5-17-6-3-7/h7-8,11-12H,1-6,10H2,(H,13,14)
InChIKeyNZJZDOOTRSIETF-UHFFFAOYSA-N
XLogP-1.61
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid (CID 70945385) is 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid is NC(CCNS(=O)(=O)NC1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid?
The InChIKey is NZJZDOOTRSIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-11-18(15,16)12-7-2-5-17-6-3-7/h7-8,11-12H,1-6,10H2,(H,13,14).
What are the key properties of 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid?
2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).