2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid

C27H32N2O6 — CID 2756163

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H32N2O6/c1-27(2,3)35-25(32)28-14-12-18(13-15-28)29(16-24(30)31)26(33)34-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23H,12-17H2,1-3H3,(H,30,31)
InChIKeyVDSAYWOINWZBBH-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.72
Rot. Bonds5

About 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid

2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid (PubChem CID 2756163) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
PubChem CID2756163
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H32N2O6/c1-27(2,3)35-25(32)28-14-12-18(13-15-28)29(16-24(30)31)26(33)34-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23H,12-17H2,1-3H3,(H,30,31)
InChIKeyVDSAYWOINWZBBH-UHFFFAOYSA-N
XLogP4.72
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid (CID 2756163) is 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid is CC(C)(C)OC(=O)N1CCC(N(CC(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is VDSAYWOINWZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-27(2,3)35-25(32)28-14-12-18(13-15-28)29(16-24(30)31)26(33)34-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,18,23H,12-17H2,1-3H3,(H,30,31).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 480.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 2756163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).