3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

C24H22NO5P — CID 155823318

IUPAC3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SMILESCP(C)(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)O)c1
InChIInChI=1S/C24H22NO5P/c1-31(2,29)17-12-15(23(26)27)11-16(13-17)25-24(28)30-14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13,22H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMAZHHSJISSDLEE-UHFFFAOYSA-N
MW435.42 g/mol
LogP4.99
Rot. Bonds5

About 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid (PubChem CID 155823318) has the molecular formula C24H22NO5P and a molecular weight of 435.42 g/mol. Its IUPAC name is 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
PubChem CID155823318
Molecular FormulaC24H22NO5P
Molecular Weight435.42 g/mol
Exact Mass435.12
IUPAC Name3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SMILESCP(C)(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)O)c1
InChIInChI=1S/C24H22NO5P/c1-31(2,29)17-12-15(23(26)27)11-16(13-17)25-24(28)30-14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13,22H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyMAZHHSJISSDLEE-UHFFFAOYSA-N
XLogP4.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(4-methoxyphenyl)methyl]benzoic acid
CID 11655926
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
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
CID 174007724
CID 174007724
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 165482203
9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
CID 130985765
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936

Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The IUPAC name of 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid (CID 155823318) is 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The canonical SMILES for 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid is CP(C)(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)O)c1.
What is the InChIKey of 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The InChIKey is MAZHHSJISSDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22NO5P/c1-31(2,29)17-12-15(23(26)27)11-16(13-17)25-24(28)30-14-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-13,22H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid has a molecular weight of 435.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 155823318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).