(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid

C15H18N2O7S — CID 2231639

IUPAC(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C15H18N2O7S/c18-13-2-1-9-17(13)10-3-5-11(6-4-10)25(23,24)16-12(15(21)22)7-8-14(19)20/h3-6,12,16H,1-2,7-9H2,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyROGAJZHDVHKHCG-LBPRGKRZSA-N
MW370.38 g/mol
LogP0.41
Rot. Bonds8

About (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid

(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid (PubChem CID 2231639) has the molecular formula C15H18N2O7S and a molecular weight of 370.38 g/mol. Its IUPAC name is (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
PubChem CID2231639
Molecular FormulaC15H18N2O7S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O
InChIInChI=1S/C15H18N2O7S/c18-13-2-1-9-17(13)10-3-5-11(6-4-10)25(23,24)16-12(15(21)22)7-8-14(19)20/h3-6,12,16H,1-2,7-9H2,(H,19,20)(H,21,22)/t12-/m0/s1
InChIKeyROGAJZHDVHKHCG-LBPRGKRZSA-N
XLogP0.41
TPSA141.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
CID 25138182
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
CID 107266567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid (CID 2231639) is (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid is O=C(O)CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid?
The InChIKey is ROGAJZHDVHKHCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O7S/c18-13-2-1-9-17(13)10-3-5-11(6-4-10)25(23,24)16-12(15(21)22)7-8-14(19)20/h3-6,12,16H,1-2,7-9H2,(H,19,20)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid?
(2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid has a molecular weight of 370.38 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]pentanedioic acid is sourced from PubChem (CID 2231639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).