(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

C23H26N2O6S — CID 129204756

IUPAC(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(O)C[C@@H](CS(=O)(=O)NC1CCC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O6S/c26-22(27)12-16(14-32(29,30)25-15-6-5-7-15)24-23(28)31-13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21,25H,5-7,12-14H2,(H,24,28)(H,26,27)/t16-/m0/s1
InChIKeyGOZCPYSURQWAIS-INIZCTEOSA-N
MW458.54 g/mol
LogP2.84
Rot. Bonds9

About (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid

(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (PubChem CID 129204756) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
PubChem CID129204756
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SMILESO=C(O)C[C@@H](CS(=O)(=O)NC1CCC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O6S/c26-22(27)12-16(14-32(29,30)25-15-6-5-7-15)24-23(28)31-13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21,25H,5-7,12-14H2,(H,24,28)(H,26,27)/t16-/m0/s1
InChIKeyGOZCPYSURQWAIS-INIZCTEOSA-N
XLogP2.84
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-(cyclobutylsulfamoyl)-4-(3,3-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
CID 129219896
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutane-1-sulfonic acid
CID 129204697
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutane-1-sulfonic acid
CID 129219801
9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate
CID 102211054
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(phenylmethoxycarbonylamino)butanoic acid
CID 3337413
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524
(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 2761612
(3S)-6-amino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexanoic acid
CID 7010013
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (CID 129204756) is (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is O=C(O)C[C@@H](CS(=O)(=O)NC1CCC1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is GOZCPYSURQWAIS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O6S/c26-22(27)12-16(14-32(29,30)25-15-6-5-7-15)24-23(28)31-13-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21,25H,5-7,12-14H2,(H,24,28)(H,26,27)/t16-/m0/s1.
What are the key properties of (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid?
(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 458.54 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 129204756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).