(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid

C10H11FN2O5S — CID 30052010

IUPAC(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16)/t8-/m1/s1
InChIKeySCKUFKNEHMVDFQ-MRVPVSSYSA-N
MW290.27 g/mol
LogP-0.57
Rot. Bonds6

About (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 30052010) has the molecular formula C10H11FN2O5S and a molecular weight of 290.27 g/mol. Its IUPAC name is (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
PubChem CID30052010
Molecular FormulaC10H11FN2O5S
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16)/t8-/m1/s1
InChIKeySCKUFKNEHMVDFQ-MRVPVSSYSA-N
XLogP-0.57
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61141616
(2R)-4-amino-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 104935170
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
4-amino-2-[(3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 16772747
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
(2R)-4-amino-2-[(3-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107826029

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid (CID 30052010) is (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid is NC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is SCKUFKNEHMVDFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 290.27 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 30052010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).