(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid

C27H27NO4 — CID 175700602

IUPAC(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid
SMILESCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H27NO4/c1-2-3-17-25(26(29)30)28(19-11-5-4-6-12-19)27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h4-16,24-25H,2-3,17-18H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyZBECFVZVWLUXET-VWLOTQADSA-N
MW429.52 g/mol
LogP6.09
Rot. Bonds8

About (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid

(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid (PubChem CID 175700602) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid
PubChem CID175700602
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid
SMILESCCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H27NO4/c1-2-3-17-25(26(29)30)28(19-11-5-4-6-12-19)27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h4-16,24-25H,2-3,17-18H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeyZBECFVZVWLUXET-VWLOTQADSA-N
XLogP6.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic 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

2-[9H-fluoren-9-ylmethoxycarbonyl(methylsulfanyl)amino]hexanoic acid
CID 144717738
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]heptanoic acid
CID 95565913
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
(2S)-5-azido-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid
CID 172994734
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylsulfanylbutanoic acid
CID 57363978
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800
2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-4-ethylsulfanylbutanoic acid
CID 104881865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid?
The IUPAC name of (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid (CID 175700602) is (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid.
What is the SMILES notation for (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid?
The canonical SMILES for (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid is CCCC[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid?
The InChIKey is ZBECFVZVWLUXET-VWLOTQADSA-N. The full InChI is InChI=1S/C27H27NO4/c1-2-3-17-25(26(29)30)28(19-11-5-4-6-12-19)27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h4-16,24-25H,2-3,17-18H2,1H3,(H,29,30)/t25-/m0/s1.
What are the key properties of (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid?
(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid has a molecular weight of 429.52 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid is sourced from PubChem (CID 175700602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).