2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid

C27H30N2O6 — CID 174986792

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
SMILESO=C(NCCCCCCC(C(=O)O)N1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-24-14-15-25(31)29(24)23(26(32)33)13-3-1-2-8-16-28-27(34)35-17-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,22-23H,1-3,8,13-17H2,(H,28,34)(H,32,33)
InChIKeyAIWYIOJBGVLRMZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.08
Rot. Bonds11

About 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid (PubChem CID 174986792) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
PubChem CID174986792
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
SMILESO=C(NCCCCCCC(C(=O)O)N1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O6/c30-24-14-15-25(31)29(24)23(26(32)33)13-3-1-2-8-16-28-27(34)35-17-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,22-23H,1-3,8,13-17H2,(H,28,34)(H,32,33)
InChIKeyAIWYIOJBGVLRMZ-UHFFFAOYSA-N
XLogP4.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 166508224
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 151918287
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 97047006
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid (CID 174986792) is 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid is O=C(NCCCCCCC(C(=O)O)N1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
The InChIKey is AIWYIOJBGVLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c30-24-14-15-25(31)29(24)23(26(32)33)13-3-1-2-8-16-28-27(34)35-17-22-20-11-6-4-9-18(20)19-10-5-7-12-21(19)22/h4-7,9-12,22-23H,1-3,8,13-17H2,(H,28,34)(H,32,33).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid has a molecular weight of 478.55 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-8-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid is sourced from PubChem (CID 174986792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).