prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

C24H27NO4 — CID 138502561

IUPACprop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESC=CCOC(=O)C(CCCC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-3-5-14-22(23(26)28-15-4-2)25-24(27)29-16-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h4,6-13,21-22H,2-3,5,14-16H2,1H3,(H,25,27)
InChIKeyCHTHGQYZENMMHX-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.81
Rot. Bonds9

About prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (PubChem CID 138502561) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
PubChem CID138502561
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Nameprop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESC=CCOC(=O)C(CCCC)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-3-5-14-22(23(26)28-15-4-2)25-24(27)29-16-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h4,6-13,21-22H,2-3,5,14-16H2,1H3,(H,25,27)
InChIKeyCHTHGQYZENMMHX-UHFFFAOYSA-N
XLogP4.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;prop-2-enyl carbamate
CID 131676597
bis(prop-2-enyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 102479998
1-O-octyl 5-O-prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 166076206
propyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoate
CID 164907286
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoate
CID 7021499
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
prop-2-enyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 158278518
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3S)-4-oxo-4-prop-2-enoxy-3-(prop-2-enoxycarbonylamino)butyl]sulfanylpropanoic acid
CID 118981726
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
CID 11662410

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The IUPAC name of prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (CID 138502561) is prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The canonical SMILES for prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is C=CCOC(=O)C(CCCC)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The InChIKey is CHTHGQYZENMMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-3-5-14-22(23(26)28-15-4-2)25-24(27)29-16-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h4,6-13,21-22H,2-3,5,14-16H2,1H3,(H,25,27).
What are the key properties of prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate has a molecular weight of 393.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 138502561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).