2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid

C26H31N3O6 — CID 178199211

About 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid (PubChem CID 178199211) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid
• PubChem CID: 178199211
• Molecular Formula: C26H31N3O6
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.22
• IUPAC Name: 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid
• SMILES: CN(C)CCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C26H31N3O6/c1-28(2)12-13-29(15-23(30)31)25(32)24-22(11-14-34-24)27-26(33)35-16-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,21-22,24H,11-16H2,1-2H3,(H,27,33)(H,30,31)/t22-,24+/m1/s1
• InChIKey: FSKGZYICQBACOL-VWNXMTODSA-N
• XLogP: 2.16
• TPSA: 108.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid?

The IUPAC name of 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid (CID 178199211) is 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid?

The InChIKey is FSKGZYICQBACOL-VWNXMTODSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-28(2)12-13-29(15-23(30)31)25(32)24-22(11-14-34-24)27-26(33)35-16-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,21-22,24H,11-16H2,1-2H3,(H,27,33)(H,30,31)/t22-,24+/m1/s1.

What are the key properties of 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid?

2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid has a molecular weight of 481.55 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 178199211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).