(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

C27H32N2O5S — CID 75409993

IUPAC(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)CSC1(C)C
InChIInChI=1S/C27H32N2O5S/c1-16(2)13-22(24(30)29-23(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,16,21-23H,13-15H2,1-4H3,(H,28,33)(H,31,32)/t22-,23-/m0/s1
InChIKeyWVHFDTYUPQFOJB-GOTSBHOMSA-N
MW496.63 g/mol
LogP4.70
Rot. Bonds7

About (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 75409993) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID75409993
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC Name(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)CSC1(C)C
InChIInChI=1S/C27H32N2O5S/c1-16(2)13-22(24(30)29-23(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,16,21-23H,13-15H2,1-4H3,(H,28,33)(H,31,32)/t22-,23-/m0/s1
InChIKeyWVHFDTYUPQFOJB-GOTSBHOMSA-N
XLogP4.70
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 75409988
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192014
1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-3-hydroxypyrrolidine-3-carboxylic acid
CID 165453997
9H-fluoren-9-ylmethyl N-[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl]carbamate
CID 56777281
9H-fluoren-9-ylmethyl N-[1-(benzotriazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 74318420
(2S)-1-[(2S)-2-[[(9H-fluoren-9-ylmethoxycarbonylamino)-propan-2-ylcarbamoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 71662106
3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 155885463
(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 70658987
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221
(2S,4S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dimethylhexanoic acid
CID 10714874
9H-fluoren-9-ylmethyl N-[(2S)-1-[[4-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-1-hydroxybutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10747777
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 75409993) is (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)CSC1(C)C.
What is the InChIKey of (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WVHFDTYUPQFOJB-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-16(2)13-22(24(30)29-23(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-12,16,21-23H,13-15H2,1-4H3,(H,28,33)(H,31,32)/t22-,23-/m0/s1.
What are the key properties of (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 496.63 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 75409993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).