2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

C25H25N3O5S — CID 170881985

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc(N2CCOCC2)s1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O5S/c29-23(30)22(13-16-14-26-24(34-16)28-9-11-32-12-10-28)27-25(31)33-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14,21-22H,9-13,15H2,(H,27,31)(H,29,30)
InChIKeyWDRGJRPUJUQANL-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.51
Rot. Bonds7

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 170881985) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID170881985
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESO=C(NC(Cc1cnc(N2CCOCC2)s1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O5S/c29-23(30)22(13-16-14-26-24(34-16)28-9-11-32-12-10-28)27-25(31)33-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14,21-22H,9-13,15H2,(H,27,31)(H,29,30)
InChIKeyWDRGJRPUJUQANL-UHFFFAOYSA-N
XLogP3.51
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
CID 170882100
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-morpholin-4-ylphenyl)propanoic acid
CID 163207445
3-(3-ethyl-5-methyl-4-morpholin-4-ylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882897
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-2-morpholin-4-ylphenyl)propanoic acid
CID 170883114
3-(5-bromo-1,3-thiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 165485042
3-(2-chloro-3-methyl-4-morpholin-4-ylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882898
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-morpholin-4-ylhexanoic acid
CID 146584722
3-(5-chlorothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103666211
3-(5-benzylthiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882739
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]hexanoic acid
CID 175464467
3-[5-(dimethylamino)thiophen-2-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882961
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-phenylpiperidin-4-yl)propanoic acid
CID 177277546

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (CID 170881985) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is O=C(NC(Cc1cnc(N2CCOCC2)s1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is WDRGJRPUJUQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-23(30)22(13-16-14-26-24(34-16)28-9-11-32-12-10-28)27-25(31)33-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,14,21-22H,9-13,15H2,(H,27,31)(H,29,30).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 479.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 170881985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).