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

C29H25NO4 — CID 172529758

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc2ccccc2c1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H25NO4/c31-28(32)18-30(16-15-20-13-14-21-7-1-2-8-22(21)17-20)29(33)34-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-14,17,27H,15-16,18-19H2,(H,31,32)
InChIKeyDSBMAAFFULUHAT-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.72
Rot. Bonds7

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

2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid (PubChem CID 172529758) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
PubChem CID172529758
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccc2ccccc2c1)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H25NO4/c31-28(32)18-30(16-15-20-13-14-21-7-1-2-8-22(21)17-20)29(33)34-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-14,17,27H,15-16,18-19H2,(H,31,32)
InChIKeyDSBMAAFFULUHAT-UHFFFAOYSA-N
XLogP5.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-difluorophenyl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 177277839
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
CID 171935119
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]acetamide;9H-fluoren-9-ylmethyl N-[2-(4-aminophenyl)ethyl]-N-[(4-aminophenyl)methyl]carbamate
CID 162190536
2-[2-(4,4-difluoropiperidin-1-yl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 142490916

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid (CID 172529758) is 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid is O=C(O)CN(CCc1ccc2ccccc2c1)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid?
The InChIKey is DSBMAAFFULUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c31-28(32)18-30(16-15-20-13-14-21-7-1-2-8-22(21)17-20)29(33)34-19-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-14,17,27H,15-16,18-19H2,(H,31,32).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid has a molecular weight of 451.52 g/mol, XLogP of 5.72, 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(2-naphthalen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 172529758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).