(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid

C9H18N2O5S — CID 10445626

IUPAC(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-7(2)8(9(12)13)10-17(14,15)11-3-5-16-6-4-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNRPLYAOFFYZZRJ-QMMMGPOBSA-N
MW266.32 g/mol
LogP-0.74
Rot. Bonds5

About (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid

(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid (PubChem CID 10445626) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
PubChem CID10445626
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C9H18N2O5S/c1-7(2)8(9(12)13)10-17(14,15)11-3-5-16-6-4-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKeyNRPLYAOFFYZZRJ-QMMMGPOBSA-N
XLogP-0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
(2R)-2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 79010860
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
(2S)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783970
4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 43210286
(2R)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783968
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447
1-(2,4-dimethylpentan-3-yl)-3-morpholin-4-ylsulfonylurea
CID 134115048

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid (CID 10445626) is (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid is CC(C)[C@H](NS(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid?
The InChIKey is NRPLYAOFFYZZRJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-7(2)8(9(12)13)10-17(14,15)11-3-5-16-6-4-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid?
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 10445626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).