(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid

C22H15NO5 — CID 25234415

IUPAC(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(Nc1cccc([C@H](O)C(=O)O)c1)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H15NO5/c24-19(22(27)28)12-5-3-6-13(11-12)23-21(26)17-10-4-9-15-14-7-1-2-8-16(14)20(25)18(15)17/h1-11,19,24H,(H,23,26)(H,27,28)/t19-/m0/s1
InChIKeyGHUAFPQNOPQELI-IBGZPJMESA-N
MW373.36 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid

(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 25234415) has the molecular formula C22H15NO5 and a molecular weight of 373.36 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid
PubChem CID25234415
Molecular FormulaC22H15NO5
Molecular Weight373.36 g/mol
Exact Mass373.10
IUPAC Name(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid
SMILESO=C(Nc1cccc([C@H](O)C(=O)O)c1)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H15NO5/c24-19(22(27)28)12-5-3-6-13(11-12)23-21(26)17-10-4-9-15-14-7-1-2-8-16(14)20(25)18(15)17/h1-11,19,24H,(H,23,26)(H,27,28)/t19-/m0/s1
InChIKeyGHUAFPQNOPQELI-IBGZPJMESA-N
XLogP3.27
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
CID 141027616
N-(3-chloro-4-fluorophenyl)-9-oxofluorene-1-carboxamide
CID 25234468
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
9-oxofluorene-1-carboxylate
CID 6928439
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-(9,10-dioxophenanthren-3-yl)-2-fluorobenzamide
CID 10783699
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
N-(2-iodonaphthalen-1-yl)-9-oxofluorene-1-carboxamide
CID 69104756
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 31812149
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid (CID 25234415) is (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid is O=C(Nc1cccc([C@H](O)C(=O)O)c1)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GHUAFPQNOPQELI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H15NO5/c24-19(22(27)28)12-5-3-6-13(11-12)23-21(26)17-10-4-9-15-14-7-1-2-8-16(14)20(25)18(15)17/h1-11,19,24H,(H,23,26)(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid?
(2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 373.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-[3-[(9-oxofluorene-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 25234415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).