4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

C22H17NO4 — CID 2756082

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
InChIKeyVGSYYBSAOANSLR-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.75
Rot. Bonds4

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid (PubChem CID 2756082) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
PubChem CID2756082
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
InChIKeyVGSYYBSAOANSLR-UHFFFAOYSA-N
XLogP4.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bms753
CID 9884820
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 978386
4-[[5-[3-(Hydroxymethyl)phenyl]-2-methylbenzoyl]amino]-3,5-dimethylbenzoic acid
CID 78319379
4-{[(1-Phenylcyclopentyl)carbonyl]amino}benzoic acid
CID 933525
4-[(Diphenylacetyl)amino]benzoic acid
CID 670527
4,4'-(Isophthaloylbis(azanediyl))dibenzoic acid
CID 1069191
2'-[({4-[(Tert-butylamino)carbonyl]phenyl}amino)carbonyl]-2-biphenylcarboxylic acid
CID 2204234
4-[[3,4-Di(propan-2-yl)benzoyl]amino]benzoic acid
CID 14186478
4-(2-Benzyl-4-carboxy-5-phenyl-pentanoylamino)-benzoic acid
CID 44318536
N-(9H-fluoren-9-ylethoxycarbonyl)-4-aminobenzoic acid
CID 9885863
2-[2-[(9-hydroxy-9H-fluoren-2-yl)carbamoyl]phenyl]benzoic acid
CID 278038
2-[2-[[7-[[2-(2-carboxyphenyl)benzoyl]amino]-9H-fluoren-2-yl]carbamoyl]phenyl]benzoic acid
CID 278702

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid (CID 2756082) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
The InChIKey is VGSYYBSAOANSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(25)14-9-11-15(12-10-14)23-22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid has a molecular weight of 359.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 2756082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).