prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate

C21H21NO4 — CID 164550281

IUPACprop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c1-3-12-25-20(23)13-22(2)21(24)26-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3
InChIKeyJHHBIEWBVIGAER-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.60
Rot. Bonds6

About prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate

prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate (PubChem CID 164550281) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
PubChem CID164550281
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Nameprop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
SMILESC=CCOC(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c1-3-12-25-20(23)13-22(2)21(24)26-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3
InChIKeyJHHBIEWBVIGAER-UHFFFAOYSA-N
XLogP3.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 4-O-prop-2-enyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanedioate
CID 169230600
9H-fluoren-9-ylmethyl N-(hydroxymethyl)-N-prop-2-enylcarbamate
CID 57151927
prop-2-enyl 2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]acetate
CID 164550283
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
prop-2-enyl (3S)-3-[[2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetyl]-methylamino]-4-(dimethylamino)-4-oxobutanoate
CID 167140391
1-O-tert-butyl 4-O-prop-2-enyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanedioate;(3S)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 164977524
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-(4-prop-2-enoxycarbonylphenyl)butanoic acid
CID 177277736
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-(4-prop-2-enoxycarbonylphenyl)butanoic acid
CID 177277346
prop-2-enyl (3S)-4-(dimethylamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 167139879
1-O-tert-butyl 4-O-prop-2-enyl (2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]butanedioate
CID 155135673
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[methyl(prop-2-enoxycarbonyl)amino]butanoic acid
CID 156621225
prop-2-enyl (2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoate
CID 169025068

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate (CID 164550281) is prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate is C=CCOC(=O)CN(C)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate?
The InChIKey is JHHBIEWBVIGAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-12-25-20(23)13-22(2)21(24)26-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,19H,1,12-14H2,2H3.
What are the key properties of prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate?
prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate has a molecular weight of 351.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 164550281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).