2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid

C26H32N2O7 — CID 165478135

About 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid

2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid (PubChem CID 165478135) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid
• PubChem CID: 165478135
• Molecular Formula: C26H32N2O7
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.22
• IUPAC Name: 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid
• SMILES: CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O
• InChI: InChI=1S/C26H32N2O7/c1-26(2,3)35-16-22(24(32)28(12-13-29)14-23(30)31)27-25(33)34-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,29H,12-16H2,1-3H3,(H,27,33)(H,30,31)/t22-/m0/s1
• InChIKey: WVQMWRYVNLRNHU-QFIPXVFZSA-N
• XLogP: 2.61
• TPSA: 125.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid?

The IUPAC name of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid (CID 165478135) is 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid.

What is the SMILES notation for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid?

The canonical SMILES for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid is CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(CCO)CC(=O)O.

What is the InChIKey of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid?

The InChIKey is WVQMWRYVNLRNHU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-26(2,3)35-16-22(24(32)28(12-13-29)14-23(30)31)27-25(33)34-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,29H,12-16H2,1-3H3,(H,27,33)(H,30,31)/t22-/m0/s1.

What are the key properties of 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid?

2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid has a molecular weight of 484.55 g/mol, XLogP of 2.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 165478135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).