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

C18H17NO4 — CID 688640

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21)
InChIKeyZHKQIADIIYMFOZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.95
Rot. Bonds4

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

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (PubChem CID 688640) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
PubChem CID688640
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21)
InChIKeyZHKQIADIIYMFOZ-UHFFFAOYSA-N
XLogP2.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630
Fmoc-Gly-OH
CID 93124
N-Fmoc-L-isoleucine
CID 2724629
(-)-(R)-Fmoc-4-thiazolidinecarboxylic acid
CID 2736491
1-((tert-butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid
CID 2756797

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (CID 688640) is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The InChIKey is ZHKQIADIIYMFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid has a molecular weight of 311.34 g/mol, XLogP of 2.95, 4 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]acetic acid is sourced from PubChem (CID 688640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).