9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride

C23H27ClN2O4 — CID 70700199

IUPAC9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride
SMILESCl.NCCC(=O)CCC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O4.ClH/c24-13-11-16(26)9-10-17(27)12-14-25-23(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-15,24H2,(H,25,28);1H
InChIKeyXCEUTTUALOJQDL-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.60
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride (PubChem CID 70700199) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride
PubChem CID70700199
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride
SMILESCl.NCCC(=O)CCC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O4.ClH/c24-13-11-16(26)9-10-17(27)12-14-25-23(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-15,24H2,(H,25,28);1H
InChIKeyXCEUTTUALOJQDL-UHFFFAOYSA-N
XLogP3.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid;4-oxohexanoic acid
CID 158307652
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride (CID 70700199) is 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride is Cl.NCCC(=O)CCC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride?
The InChIKey is XCEUTTUALOJQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4.ClH/c24-13-11-16(26)9-10-17(27)12-14-25-23(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-15,24H2,(H,25,28);1H.
What are the key properties of 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride has a molecular weight of 430.93 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate;hydrochloride is sourced from PubChem (CID 70700199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).