2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid

C22H25NO4 — CID 125449008

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-3-8-13-23(14-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25)
InChIKeyWCBKILCXFHHPDA-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.51
Rot. Bonds8

About 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid

2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid (PubChem CID 125449008) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
PubChem CID125449008
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO4/c1-2-3-8-13-23(14-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25)
InChIKeyWCBKILCXFHHPDA-UHFFFAOYSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[(9H-fluoren-9-ylmethoxycarbonylamino)-pentylamino]acetic acid
CID 58152522
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
CID 172529253
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
CID 171935119
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid (CID 125449008) is 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid is CCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid?
The InChIKey is WCBKILCXFHHPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-2-3-8-13-23(14-21(24)25)22(26)27-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,24,25).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 4.51, 8 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(pentyl)amino]acetic acid is sourced from PubChem (CID 125449008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).