[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate

C26H25F3N2O4 — CID 10648624

IUPAC[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+][C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H24N2O2.C2HF3O2/c25-18(14-17-8-2-1-3-9-17)15-26-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;3-2(4,5)1(6)7/h1-13,18,23H,14-16,25H2,(H,26,27);(H,6,7)/t18-;/m1./s1
InChIKeyJRSDLYONEMLPKI-GMUIIQOCSA-N
MW486.49 g/mol
LogP2.68
Rot. Bonds6

About [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate

[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate (PubChem CID 10648624) has the molecular formula C26H25F3N2O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate
PubChem CID10648624
Molecular FormulaC26H25F3N2O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Name[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+][C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C24H24N2O2.C2HF3O2/c25-18(14-17-8-2-1-3-9-17)15-26-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;3-2(4,5)1(6)7/h1-13,18,23H,14-16,25H2,(H,26,27);(H,6,7)/t18-;/m1./s1
InChIKeyJRSDLYONEMLPKI-GMUIIQOCSA-N
XLogP2.68
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate with MolForge

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Related Compounds

[(2S)-1-[[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 10532415
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 172909790
9H-fluoren-9-ylmethyl N-[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutyl]carbamate
CID 10722877
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-deuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
CID 24773494
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate (CID 10648624) is [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+][C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1.
What is the InChIKey of [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate?
The InChIKey is JRSDLYONEMLPKI-GMUIIQOCSA-N. The full InChI is InChI=1S/C24H24N2O2.C2HF3O2/c25-18(14-17-8-2-1-3-9-17)15-26-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23;3-2(4,5)1(6)7/h1-13,18,23H,14-16,25H2,(H,26,27);(H,6,7)/t18-;/m1./s1.
What are the key properties of [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate?
[(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate has a molecular weight of 486.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 10648624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).