1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid

C17H25N3O5S — CID 67652168

IUPAC1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C17H25N3O5S/c1-12(2)18-26(24,25)19-14(11-13-7-4-3-5-8-13)16(21)20-10-6-9-15(20)17(22)23/h3-5,7-8,12,14-15,18-19H,6,9-11H2,1-2H3,(H,22,23)/t14-,15?/m1/s1
InChIKeyLCYRZOPUUOCJPK-GICMACPYSA-N
MW383.47 g/mol
LogP0.51
Rot. Bonds8

About 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid

1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 67652168) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID67652168
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C17H25N3O5S/c1-12(2)18-26(24,25)19-14(11-13-7-4-3-5-8-13)16(21)20-10-6-9-15(20)17(22)23/h3-5,7-8,12,14-15,18-19H,6,9-11H2,1-2H3,(H,22,23)/t14-,15?/m1/s1
InChIKeyLCYRZOPUUOCJPK-GICMACPYSA-N
XLogP0.51
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
(2S)-1-[(2R)-2-(benzylsulfonylamino)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 86700986
1-[(2R)-2-(hexadecylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 67652819
(2R)-1-[(2S)-2-(3-hydroxybutanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 71407969
1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18299751
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
benzyl (2S)-1-[(2R)-2-(ethylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 15385777
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 10388879
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 102296394
1-[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 19997794
1-[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18306538
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 67652168) is 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid is CC(C)NS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LCYRZOPUUOCJPK-GICMACPYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12(2)18-26(24,25)19-14(11-13-7-4-3-5-8-13)16(21)20-10-6-9-15(20)17(22)23/h3-5,7-8,12,14-15,18-19H,6,9-11H2,1-2H3,(H,22,23)/t14-,15?/m1/s1.
What are the key properties of 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid?
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 383.47 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67652168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).