2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid

C23H25NO4 — CID 139211275

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid
SMILESCCCC=CC(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO4/c1-3-4-5-14-21(22(25)26)24(2)23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h5-14,20-21H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyKFNSMXDBBZFCQD-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.68
Rot. Bonds7

About 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid (PubChem CID 139211275) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid
PubChem CID139211275
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid
SMILESCCCC=CC(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H25NO4/c1-3-4-5-14-21(22(25)26)24(2)23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h5-14,20-21H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyKFNSMXDBBZFCQD-UHFFFAOYSA-N
XLogP4.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic 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-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]heptanoic acid
CID 95565913
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylsulfanylbutanoic acid
CID 57363978
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-1-oxopentan-2-yl]-N-methylcarbamate
CID 176832325
4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
2-cycloheptyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103695913
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid (CID 139211275) is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid is CCCC=CC(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid?
The InChIKey is KFNSMXDBBZFCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-4-5-14-21(22(25)26)24(2)23(27)28-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h5-14,20-21H,3-4,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hept-3-enoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.68, 7 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(methyl)amino]hept-3-enoic acid is sourced from PubChem (CID 139211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).