4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid

C10H18N2O5S — CID 114236357

IUPAC4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
SMILESNCCC(C(=O)O)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O5S/c11-4-3-8(10(14)15)18(16,17)7-9(13)12-5-1-2-6-12/h8H,1-7,11H2,(H,14,15)
InChIKeyGKSAPJNDGZGHEN-UHFFFAOYSA-N
MW278.33 g/mol
LogP-1.17
Rot. Bonds6

About 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid

4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid (PubChem CID 114236357) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
PubChem CID114236357
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid
SMILESNCCC(C(=O)O)S(=O)(=O)CC(=O)N1CCCC1
InChIInChI=1S/C10H18N2O5S/c11-4-3-8(10(14)15)18(16,17)7-9(13)12-5-1-2-6-12/h8H,1-7,11H2,(H,14,15)
InChIKeyGKSAPJNDGZGHEN-UHFFFAOYSA-N
XLogP-1.17
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027
2-(3-aminopentan-2-ylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236172
methyl 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoate
CID 114235836
4-amino-2-methylsulfonylbutanoic acid
CID 64693404
4-(2-oxo-2-piperidin-1-ylethyl)sulfonylpentan-2-one
CID 114236346
2-[3-(ethylamino)butan-2-ylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 114236176
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
(4S)-4,5-dimethyl-1-pyrrolidin-1-ylhexan-1-one
CID 169219250

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid?
The IUPAC name of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid (CID 114236357) is 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid.
What is the SMILES notation for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid?
The canonical SMILES for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid is NCCC(C(=O)O)S(=O)(=O)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid?
The InChIKey is GKSAPJNDGZGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c11-4-3-8(10(14)15)18(16,17)7-9(13)12-5-1-2-6-12/h8H,1-7,11H2,(H,14,15).
What are the key properties of 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid?
4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid has a molecular weight of 278.33 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbutanoic acid is sourced from PubChem (CID 114236357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).