2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid

C21H21NO4 — CID 156633500

IUPAC2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid
SMILES[2H]C(OC(=O)N(CC(=O)O)C1CCC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)12-22(14-6-5-7-14)21(25)26-13-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-4,8-11,14,19H,5-7,12-13H2,(H,23,24)/i13D
InChIKeyVFDBMOREDMHPMN-YSOHJTORSA-N
MW352.41 g/mol
LogP3.87
Rot. Bonds5

About 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid

2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid (PubChem CID 156633500) has the molecular formula C21H21NO4 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid
PubChem CID156633500
Molecular FormulaC21H21NO4
Molecular Weight352.41 g/mol
Exact Mass352.15
IUPAC Name2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid
SMILES[2H]C(OC(=O)N(CC(=O)O)C1CCC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)12-22(14-6-5-7-14)21(25)26-13-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-4,8-11,14,19H,5-7,12-13H2,(H,23,24)/i13D
InChIKeyVFDBMOREDMHPMN-YSOHJTORSA-N
XLogP3.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-3-yl]amino]acetic acid
CID 165466304
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[cyclopentyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 57367840
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
9H-fluoren-9-ylmethyl N-(azetidin-3-ylmethyl)-N-cyclopropylcarbamate
CID 157184389
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951
2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid?
The IUPAC name of 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid (CID 156633500) is 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid is [2H]C(OC(=O)N(CC(=O)O)C1CCC1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid?
The InChIKey is VFDBMOREDMHPMN-YSOHJTORSA-N. The full InChI is InChI=1S/C21H21NO4/c23-20(24)12-22(14-6-5-7-14)21(25)26-13-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-4,8-11,14,19H,5-7,12-13H2,(H,23,24)/i13D.
What are the key properties of 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid?
2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid has a molecular weight of 352.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[deuterio(9H-fluoren-9-yl)methoxy]carbonylamino]acetic acid is sourced from PubChem (CID 156633500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).