5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid

C27H26N2O5 — CID 165343448

IUPAC5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H26N2O5/c30-25(31)11-5-6-16-28-26(32)18-12-14-19(15-13-18)29-27(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24H,5-6,11,16-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyCDJMFGBDVWIBLL-UHFFFAOYSA-N
MW458.51 g/mol
LogP5.03
Rot. Bonds9

About 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid

5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid (PubChem CID 165343448) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid
PubChem CID165343448
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H26N2O5/c30-25(31)11-5-6-16-28-26(32)18-12-14-19(15-13-18)29-27(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24H,5-6,11,16-17H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyCDJMFGBDVWIBLL-UHFFFAOYSA-N
XLogP5.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
6-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]oxyacetyl]amino]hexanoic acid
CID 155427273
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
6-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 178195515

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid (CID 165343448) is 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid?
The InChIKey is CDJMFGBDVWIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c30-25(31)11-5-6-16-28-26(32)18-12-14-19(15-13-18)29-27(33)34-17-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-10,12-15,24H,5-6,11,16-17H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid?
5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid has a molecular weight of 458.51 g/mol, XLogP of 5.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 165343448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).