(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

C19H17NO4S — CID 2736491

IUPAC(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
InChIKeyHUWNZLPLVVGCMO-KRWDZBQOSA-N
MW355.42 g/mol
LogP3.39
Rot. Bonds3

About (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2736491) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2736491
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1
InChIKeyHUWNZLPLVVGCMO-KRWDZBQOSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
Fmoc-Pro-OH
CID 688135
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine
CID 2724632
N(alpha)-Fluorenylmethyloxycarbonyl-S-tert-butylcysteine
CID 100111
(S)-3-(((9H-fluoren-9-yl)methoxy)carbonyl)thiazolidine-4-carboxylic acid
CID 11863590
N-Fmoc-iminodiacetic acid
CID 601361
(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(methylsulfanyl)butanoic acid
CID 6992521
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid
CID 7015835
N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-(acetyl-aminomethyl)-D-cysteine
CID 7018818
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(methylsulfinyl)butanoic acid
CID 7408215
Fmoc-N-(Allyl)-Glycine
CID 10640670
Fmoc-Cys(tBu)-OH
CID 7009544

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 2736491) is (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HUWNZLPLVVGCMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18(22)17-10-25-11-20(17)19(23)24-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2736491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).