2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid

C24H23F3N2O5 — CID 165486788

IUPAC2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C24H23F3N2O5/c1-3-12-29(13-20(30)31)21(32)23(2,24(25,26)27)28-22(33)34-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3,(H,28,33)(H,30,31)
InChIKeyZFNKZCXMVXKPCG-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.95
Rot. Bonds8

About 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid

2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid (PubChem CID 165486788) has the molecular formula C24H23F3N2O5 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid
PubChem CID165486788
Molecular FormulaC24H23F3N2O5
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Name2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C24H23F3N2O5/c1-3-12-29(13-20(30)31)21(32)23(2,24(25,26)27)28-22(33)34-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3,(H,28,33)(H,30,31)
InChIKeyZFNKZCXMVXKPCG-UHFFFAOYSA-N
XLogP3.95
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate
CID 57151927
2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]amino]oxolane-2-carboxylic acid
CID 178195472
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-prop-2-enoxypropanoic acid
CID 58027950
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
CID 118797122
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 149150407
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-prop-2-enylpentanedioic acid
CID 139986097
2-[2,2-dimethylpropyl-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]acetic acid
CID 165461491
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid (CID 165486788) is 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)C(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid?
The InChIKey is ZFNKZCXMVXKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O5/c1-3-12-29(13-20(30)31)21(32)23(2,24(25,26)27)28-22(33)34-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3,(H,28,33)(H,30,31).
What are the key properties of 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid?
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid has a molecular weight of 476.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 165486788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).