(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate

C11H12FN2O5S- — CID 9403798

IUPAC(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C11H13FN2O5S/c12-7-1-3-8(4-2-7)20(18,19)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,13,15)(H,16,17)/p-1/t9-/m1/s1
InChIKeyNSBQHFOSBZVZBB-SECBINFHSA-M
MW303.29 g/mol
LogP-1.51
Rot. Bonds7

About (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate

(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate (PubChem CID 9403798) has the molecular formula C11H12FN2O5S- and a molecular weight of 303.29 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
PubChem CID9403798
Molecular FormulaC11H12FN2O5S-
Molecular Weight303.29 g/mol
Exact Mass303.05
IUPAC Name(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C11H13FN2O5S/c12-7-1-3-8(4-2-7)20(18,19)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,13,15)(H,16,17)/p-1/t9-/m1/s1
InChIKeyNSBQHFOSBZVZBB-SECBINFHSA-M
XLogP-1.51
TPSA129.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]pentanoate
CID 4282675
(2R)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
CID 2369526
(2R)-5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoate
CID 2101775
2-(benzenesulfonamido)pentanediamide
CID 71384470
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanediamide
CID 25197502
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate?
The IUPAC name of (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate (CID 9403798) is (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate.
What is the SMILES notation for (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate?
The canonical SMILES for (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate is NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-].
What is the InChIKey of (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate?
The InChIKey is NSBQHFOSBZVZBB-SECBINFHSA-M. The full InChI is InChI=1S/C11H13FN2O5S/c12-7-1-3-8(4-2-7)20(18,19)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6H2,(H2,13,15)(H,16,17)/p-1/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate?
(2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate has a molecular weight of 303.29 g/mol, XLogP of -1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-fluorophenyl)sulfonylamino]-5-oxopentanoate is sourced from PubChem (CID 9403798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).