9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate

C27H28N2O7 — CID 170835379

About 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170835379) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170835379
• Molecular Formula: C27H28N2O7
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.19
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate
• SMILES: COc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCC(N)=O
• InChI: InChI=1S/C27H28N2O7/c1-34-24-12-16(10-11-23(24)35-15-25(28)31)26(32)22(30)13-29-27(33)36-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-12,21-22,26,30,32H,13-15H2,1H3,(H2,28,31)(H,29,33)
• InChIKey: KPGRLOSAOUOGHQ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 140.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate (CID 170835379) is 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate is COc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCC(N)=O.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate?

The InChIKey is KPGRLOSAOUOGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-34-24-12-16(10-11-23(24)35-15-25(28)31)26(32)22(30)13-29-27(33)36-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-12,21-22,26,30,32H,13-15H2,1H3,(H2,28,31)(H,29,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 492.53 g/mol, XLogP of 2.49, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).