9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate

C25H30N2O7 — CID 174211270

IUPAC9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
SMILESCOC(=O)NCCC(=O)NCCOCCOCCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30N2O7/c1-31-25(30)27-12-10-22(28)26-13-15-33-17-16-32-14-11-23(29)34-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,24H,10-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYHVUFRIROBIRRB-UHFFFAOYSA-N
MW470.52 g/mol
LogP2.59
Rot. Bonds13

About 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate

9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate (PubChem CID 174211270) has the molecular formula C25H30N2O7 and a molecular weight of 470.52 g/mol. Its IUPAC name is 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
PubChem CID174211270
Molecular FormulaC25H30N2O7
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
SMILESCOC(=O)NCCC(=O)NCCOCCOCCC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30N2O7/c1-31-25(30)27-12-10-22(28)26-13-15-33-17-16-32-14-11-23(29)34-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,24H,10-17H2,1H3,(H,26,28)(H,27,30)
InChIKeyYHVUFRIROBIRRB-UHFFFAOYSA-N
XLogP2.59
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-yl N-[3-[3-[(5-methyl-4-oxoheptanoyl)amino]propoxy]propyl]carbamate
CID 90334145
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
CID 7856628
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
tert-butyl 3-[2-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate
CID 169158651
(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 155906783
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 172529557
9H-fluoren-9-ylmethyl N-[2-[4-[4-(4-bromophenoxy)butylamino]-4-oxobutoxy]ethyl]carbamate
CID 164944106

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate?
The IUPAC name of 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate (CID 174211270) is 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate.
What is the SMILES notation for 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate?
The canonical SMILES for 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate is COC(=O)NCCC(=O)NCCOCCOCCC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate?
The InChIKey is YHVUFRIROBIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O7/c1-31-25(30)27-12-10-22(28)26-13-15-33-17-16-32-14-11-23(29)34-24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,24H,10-17H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate?
9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate has a molecular weight of 470.52 g/mol, XLogP of 2.59, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 3-[2-[2-[3-(methoxycarbonylamino)propanoylamino]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 174211270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).