3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid

C27H30N2O5S — CID 178192523

IUPAC3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@@H]1CC(=O)N1CSCC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O5S/c30-25(29-16-35-15-24(29)26(31)32)13-17-7-1-6-12-23(17)28-27(33)34-14-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,17,22-24H,1,6-7,12-16H2,(H,28,33)(H,31,32)/t17-,23-,24?/m1/s1
InChIKeyPPJGTBIEGSDOLV-KWTFHKEJSA-N
MW494.61 g/mol
LogP4.46
Rot. Bonds6

About 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 178192523) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID178192523
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(N[C@@H]1CCCC[C@@H]1CC(=O)N1CSCC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O5S/c30-25(29-16-35-15-24(29)26(31)32)13-17-7-1-6-12-23(17)28-27(33)34-14-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,17,22-24H,1,6-7,12-16H2,(H,28,33)(H,31,32)/t17-,23-,24?/m1/s1
InChIKeyPPJGTBIEGSDOLV-KWTFHKEJSA-N
XLogP4.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetic acid
CID 170899998
3-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 178191937
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
4-[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]thiomorpholine-3-carboxylic acid
CID 178191565
(2S)-2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 178199342
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 178196433
(2R,4R)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178191907
(E)-4-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]but-2-enoic acid
CID 178192516
2-[(1R,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclohexyl]acetic acid
CID 178198413
2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]-2-methylbutanoic acid
CID 178198294

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 178192523) is 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(N[C@@H]1CCCC[C@@H]1CC(=O)N1CSCC1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PPJGTBIEGSDOLV-KWTFHKEJSA-N. The full InChI is InChI=1S/C27H30N2O5S/c30-25(29-16-35-15-24(29)26(31)32)13-17-7-1-6-12-23(17)28-27(33)34-14-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,17,22-24H,1,6-7,12-16H2,(H,28,33)(H,31,32)/t17-,23-,24?/m1/s1.
What are the key properties of 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 494.61 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 178192523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).