2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid

C20H25N2O5PS — CID 170900524

IUPAC2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid
SMILESNCCCN(CCSP(=O)(O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25N2O5PS/c21-10-5-11-22(12-13-29-28(24,25)26)20(23)27-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14,21H2,(H2,24,25,26)
InChIKeyYLLKNIXURDPJJX-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.41
Rot. Bonds9

About 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid

2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid (PubChem CID 170900524) has the molecular formula C20H25N2O5PS and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid.

Molecular Properties

Compound Name2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid
PubChem CID170900524
Molecular FormulaC20H25N2O5PS
Molecular Weight436.47 g/mol
Exact Mass436.12
IUPAC Name2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid
SMILESNCCCN(CCSP(=O)(O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25N2O5PS/c21-10-5-11-22(12-13-29-28(24,25)26)20(23)27-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14,21H2,(H2,24,25,26)
InChIKeyYLLKNIXURDPJJX-UHFFFAOYSA-N
XLogP3.41
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butyl]carbamate;dihydrochloride
CID 121233598
9H-fluoren-9-ylmethyl N,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135145
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107483352
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
9H-fluoren-9-ylmethyl N-(2-aminoethyl)-N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate
CID 176817151
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid?
The IUPAC name of 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid (CID 170900524) is 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid.
What is the SMILES notation for 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid?
The canonical SMILES for 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid is NCCCN(CCSP(=O)(O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid?
The InChIKey is YLLKNIXURDPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O5PS/c21-10-5-11-22(12-13-29-28(24,25)26)20(23)27-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14,21H2,(H2,24,25,26).
What are the key properties of 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid?
2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid has a molecular weight of 436.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]ethylsulfanylphosphonic acid is sourced from PubChem (CID 170900524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).