(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid

C8H17N3O5S — CID 67154218

IUPAC(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H17N3O5S/c9-7(8(12)13)1-2-10-17(14,15)11-3-5-16-6-4-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1
InChIKeyRKESAJLVPBUWIY-ZETCQYMHSA-N
MW267.31 g/mol
LogP-2.05
Rot. Bonds6

About (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid

(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid (PubChem CID 67154218) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
PubChem CID67154218
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H17N3O5S/c9-7(8(12)13)1-2-10-17(14,15)11-3-5-16-6-4-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1
InChIKeyRKESAJLVPBUWIY-ZETCQYMHSA-N
XLogP-2.05
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid (CID 67154218) is (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid?
The InChIKey is RKESAJLVPBUWIY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O5S/c9-7(8(12)13)1-2-10-17(14,15)11-3-5-16-6-4-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid?
(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid has a molecular weight of 267.31 g/mol, XLogP of -2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 67154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).