4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid

C24H21NO5 — CID 136547452

IUPAC4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O
InChIInChI=1S/C24H21NO5/c1-29-22-12-15(10-11-20(22)23(26)27)13-25-24(28)30-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyVGCXVKHYFGQWIA-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.43
Rot. Bonds6

About 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid

4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid (PubChem CID 136547452) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
PubChem CID136547452
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O
InChIInChI=1S/C24H21NO5/c1-29-22-12-15(10-11-20(22)23(26)27)13-25-24(28)30-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyVGCXVKHYFGQWIA-UHFFFAOYSA-N
XLogP4.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
9H-fluoren-9-ylmethyl N-[[4-[(3,4-dimethoxyphenyl)methyl-methylcarbamoyl]phenyl]methyl]carbamate
CID 59704031
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]propanoic acid
CID 167718170
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
2-[benzyl-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxybenzoyl]amino]acetic acid
CID 165469749
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]-4-methoxybenzoic acid
CID 170461339
2-(3,4-dimethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170895527

Frequently Asked Questions

What is the IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid (CID 136547452) is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid is COc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O.
What is the InChIKey of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid?
The InChIKey is VGCXVKHYFGQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-29-22-12-15(10-11-20(22)23(26)27)13-25-24(28)30-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid?
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid has a molecular weight of 403.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 136547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).