5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid

C24H21NO4 — CID 172639206

IUPAC5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
SMILESCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C24H21NO4/c1-15-10-11-16(12-21(15)23(26)27)13-25-24(28)29-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyZQJTUBGMVMWYNJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.73
Rot. Bonds5

About 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid

5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid (PubChem CID 172639206) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
PubChem CID172639206
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
SMILESCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O
InChIInChI=1S/C24H21NO4/c1-15-10-11-16(12-21(15)23(26)27)13-25-24(28)29-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyZQJTUBGMVMWYNJ-UHFFFAOYSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 118340093
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]propanoic acid
CID 167718170
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
[1,3-diethyl-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzimidazol-1-ium-2-yl]methylcarbamic acid
CID 123367519
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
CID 87430743

Frequently Asked Questions

What is the IUPAC name of 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid?
The IUPAC name of 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid (CID 172639206) is 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid is Cc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)O.
What is the InChIKey of 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid?
The InChIKey is ZQJTUBGMVMWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-15-10-11-16(12-21(15)23(26)27)13-25-24(28)29-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22H,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid?
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid is sourced from PubChem (CID 172639206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).