2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid

C19H16F3NO4 — CID 155888114

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c1-11(17(24)25)23(19(20,21)22)18(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,24,25)
InChIKeyMZFZPWKYYMKFSY-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.23
Rot. Bonds4

About 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid

2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid (PubChem CID 155888114) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
PubChem CID155888114
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c1-11(17(24)25)23(19(20,21)22)18(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,24,25)
InChIKeyMZFZPWKYYMKFSY-UHFFFAOYSA-N
XLogP4.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic 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

(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-ynyl)amino]propanoic acid
CID 175834362
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
(2S)-2-[but-3-enyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 101472073
(2S)-2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165470059
(2S)-2-[1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2,2,2-trifluoroethoxy]propanoic acid
CID 174232309
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid (CID 155888114) is 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid?
The InChIKey is MZFZPWKYYMKFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-11(17(24)25)23(19(20,21)22)18(26)27-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,24,25).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid has a molecular weight of 379.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl(trifluoromethyl)amino]propanoic acid is sourced from PubChem (CID 155888114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).