(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid

C17H17ClN2O5S — CID 69058635

IUPAC(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C17H17ClN2O5S/c1-10(17(22)23)20-7-6-15(16(20)21)19-26(24,25)14-5-3-11-8-13(18)4-2-12(11)9-14/h2-5,8-10,15,19H,6-7H2,1H3,(H,22,23)/t10-,15-/m1/s1
InChIKeyNOAVDWOUDADYBW-MEBBXXQBSA-N
MW396.85 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid

(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 69058635) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID69058635
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C17H17ClN2O5S/c1-10(17(22)23)20-7-6-15(16(20)21)19-26(24,25)14-5-3-11-8-13(18)4-2-12(11)9-14/h2-5,8-10,15,19H,6-7H2,1H3,(H,22,23)/t10-,15-/m1/s1
InChIKeyNOAVDWOUDADYBW-MEBBXXQBSA-N
XLogP1.85
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid (CID 69058635) is (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is NOAVDWOUDADYBW-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-10(17(22)23)20-7-6-15(16(20)21)19-26(24,25)14-5-3-11-8-13(18)4-2-12(11)9-14/h2-5,8-10,15,19H,6-7H2,1H3,(H,22,23)/t10-,15-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid?
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid has a molecular weight of 396.85 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 69058635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).