4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid

C26H25NO7 — CID 170834777

IUPAC4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO7/c1-33-23-12-15(25(30)31)10-11-20(23)24(29)22(28)13-27-26(32)34-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21-22,24,28-29H,13-14H2,1H3,(H,27,32)(H,30,31)
InChIKeyUWZMOCYGARAKEW-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.33
Rot. Bonds8

About 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid

4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid (PubChem CID 170834777) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
PubChem CID170834777
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Name4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25NO7/c1-33-23-12-15(25(30)31)10-11-20(23)24(29)22(28)13-27-26(32)34-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21-22,24,28-29H,13-14H2,1H3,(H,27,32)(H,30,31)
InChIKeyUWZMOCYGARAKEW-UHFFFAOYSA-N
XLogP3.33
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834066
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methoxyphenyl]propyl]carbamate
CID 170834464
9H-fluoren-9-ylmethyl N-[4-(4-bromo-2-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887754
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
methyl 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4-fluorobenzoate
CID 170834723
9H-fluoren-9-ylmethyl N-[3-(5-cyano-2-hydroxy-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834855
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]thiophene-3-carboxylic acid
CID 170833760
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833702
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,4-dihydroxybenzoic acid
CID 170834708
(E)-3-[5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-methoxyphenyl]prop-2-enoic acid
CID 170835124

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid (CID 170834777) is 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid?
The InChIKey is UWZMOCYGARAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-33-23-12-15(25(30)31)10-11-20(23)24(29)22(28)13-27-26(32)34-14-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21-22,24,28-29H,13-14H2,1H3,(H,27,32)(H,30,31).
What are the key properties of 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid?
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid has a molecular weight of 463.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-3-methoxybenzoic acid is sourced from PubChem (CID 170834777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).