4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid

C26H24N2O7 — CID 175158189

IUPAC4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
SMILESO=C(O)CCC(NC(=O)CCN1C(=O)C=CC1=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O7/c29-22(13-14-28-23(30)10-11-24(28)31)27-21(9-12-25(32)33)26(34)35-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,10-11,20-21H,9,12-15H2,(H,27,29)(H,32,33)
InChIKeyGHGMYHIIYIAEMZ-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.01
Rot. Bonds10

About 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid

4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid (PubChem CID 175158189) has the molecular formula C26H24N2O7 and a molecular weight of 476.49 g/mol. Its IUPAC name is 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
PubChem CID175158189
Molecular FormulaC26H24N2O7
Molecular Weight476.49 g/mol
Exact Mass476.16
IUPAC Name4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
SMILESO=C(O)CCC(NC(=O)CCN1C(=O)C=CC1=O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O7/c29-22(13-14-28-23(30)10-11-24(28)31)27-21(9-12-25(32)33)26(34)35-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,10-11,20-21H,9,12-15H2,(H,27,29)(H,32,33)
InChIKeyGHGMYHIIYIAEMZ-UHFFFAOYSA-N
XLogP2.01
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 175360768
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
9H-fluoren-9-ylmethyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
CID 10904539
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
(2S)-5-deuteriooxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 175932295
(4S)-5-amino-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
CID 175785725
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230
2-[8-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]octanoylamino]pentanedioic acid
CID 88558125
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 22629894
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The IUPAC name of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid (CID 175158189) is 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid.
What is the SMILES notation for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The canonical SMILES for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid is O=C(O)CCC(NC(=O)CCN1C(=O)C=CC1=O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
The InChIKey is GHGMYHIIYIAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O7/c29-22(13-14-28-23(30)10-11-24(28)31)27-21(9-12-25(32)33)26(34)35-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,10-11,20-21H,9,12-15H2,(H,27,29)(H,32,33).
What are the key properties of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid?
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid has a molecular weight of 476.49 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid is sourced from PubChem (CID 175158189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).