prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate

C22H24N2O4 — CID 23551074

IUPACprop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
SMILESC=CCOC(=O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-2-13-27-21(25)14-23-11-12-24-22(26)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20,23H,1,11-15H2,(H,24,26)
InChIKeyDJKAWYLXAYJHDC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.84
Rot. Bonds9

About prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate

prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate (PubChem CID 23551074) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
PubChem CID23551074
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameprop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate
SMILESC=CCOC(=O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-2-13-27-21(25)14-23-11-12-24-22(26)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20,23H,1,11-15H2,(H,24,26)
InChIKeyDJKAWYLXAYJHDC-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetate;9H-fluoren-9-ylmethyl 2-[3-(prop-2-enoxycarbonylamino)propylamino]acetate
CID 161445836
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;propane
CID 143718788
9H-fluoren-9-ylmethyl N-(2-aminoethyl)carbamate;prop-2-enyl N-(3-hydroxypropyl)carbamate;hydrobromide
CID 135207393
prop-2-enyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 25034093
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
prop-2-enyl (E)-2-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-enoate
CID 101348443
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 135271738
2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 91976784
bis(prop-2-enyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
CID 102479998
(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
CID 169286639

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate?
The IUPAC name of prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate (CID 23551074) is prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate.
What is the SMILES notation for prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate?
The canonical SMILES for prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate is C=CCOC(=O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate?
The InChIKey is DJKAWYLXAYJHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-13-27-21(25)14-23-11-12-24-22(26)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20,23H,1,11-15H2,(H,24,26).
What are the key properties of prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate?
prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate has a molecular weight of 380.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetate is sourced from PubChem (CID 23551074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).