(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

C19H17NO4S — CID 95048702

IUPAC(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1
InChIInChI=1S/C19H17NO4S/c21-18(22)16-10-25-17(20-16)19(23)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17,20H,9-10H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyBEQBUZLTZXPWID-DLBZAZTESA-N
MW355.42 g/mol
LogP2.46
Rot. Bonds4

About (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 95048702) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID95048702
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1
InChIInChI=1S/C19H17NO4S/c21-18(22)16-10-25-17(20-16)19(23)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17,20H,9-10H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyBEQBUZLTZXPWID-DLBZAZTESA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(1S,3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 51922470
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 70149669
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
CID 166000842
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 95048702) is (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N1.
What is the InChIKey of (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BEQBUZLTZXPWID-DLBZAZTESA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18(22)16-10-25-17(20-16)19(23)24-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17,20H,9-10H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 355.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 95048702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).