(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid

C8H16N2O5S — CID 67154235

IUPAC(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c9-7(8(11)12)1-6-16(13,14)10-2-4-15-5-3-10/h7H,1-6,9H2,(H,11,12)/t7-/m0/s1
InChIKeyGNTASKLHBZGIEA-ZETCQYMHSA-N
MW252.29 g/mol
LogP-1.55
Rot. Bonds5

About (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid

(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid (PubChem CID 67154235) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid
PubChem CID67154235
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c9-7(8(11)12)1-6-16(13,14)10-2-4-15-5-3-10/h7H,1-6,9H2,(H,11,12)/t7-/m0/s1
InChIKeyGNTASKLHBZGIEA-ZETCQYMHSA-N
XLogP-1.55
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid (CID 67154235) is (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid is N[C@@H](CCS(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid?
The InChIKey is GNTASKLHBZGIEA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O5S/c9-7(8(11)12)1-6-16(13,14)10-2-4-15-5-3-10/h7H,1-6,9H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid?
(2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-morpholin-4-ylsulfonylbutanoic acid is sourced from PubChem (CID 67154235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).