4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid

C23H19NO4 — CID 67426893

IUPAC4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H19NO4/c25-22(26)16-10-8-15(9-11-16)13-24-23(27)28-14-18-5-3-7-20-19-6-2-1-4-17(19)12-21(18)20/h1-11H,12-14H2,(H,24,27)(H,25,26)
InChIKeyWLGNBXPVTXCIQX-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.38
Rot. Bonds5

About 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid

4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid (PubChem CID 67426893) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
PubChem CID67426893
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H19NO4/c25-22(26)16-10-8-15(9-11-16)13-24-23(27)28-14-18-5-3-7-20-19-6-2-1-4-17(19)12-21(18)20/h1-11H,12-14H2,(H,24,27)(H,25,26)
InChIKeyWLGNBXPVTXCIQX-UHFFFAOYSA-N
XLogP4.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
2-amino-3-phenylpropanoic acid;2-(dihydroxyamino)-3-phenylpropanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)acetic acid
CID 175178407
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
9H-fluoren-1-ylmethyl N-[[4-oxo-4-[6-(tritylamino)hexylamino]butanoyl]amino]carbamate
CID 118437586
methyl (2S)-2-(2,6-difluoro-4-phenylmethoxyphenyl)-2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoate
CID 172829979
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
9H-fluoren-1-ylmethyl nitrate
CID 174713486
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002

Frequently Asked Questions

What is the IUPAC name of 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid?
The IUPAC name of 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid (CID 67426893) is 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid is O=C(NCc1ccc(C(=O)O)cc1)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid?
The InChIKey is WLGNBXPVTXCIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(26)16-10-8-15(9-11-16)13-24-23(27)28-14-18-5-3-7-20-19-6-2-1-4-17(19)12-21(18)20/h1-11H,12-14H2,(H,24,27)(H,25,26).
What are the key properties of 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid?
4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid has a molecular weight of 373.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9H-fluoren-1-ylmethoxycarbonylamino)methyl]benzoic acid is sourced from PubChem (CID 67426893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).