(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C26H32N2O6 — CID 126673423

IUPAC(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCOC(=O)N(CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-21(23(29)30)15-9-10-16-28(25(32)33-4)22-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h5-8,11-14,21-22H,9-10,15-16H2,1-4H3,(H,27,31)(H,29,30)/t21-/m1/s1
InChIKeyLDZGHGCQQXDIIT-OAQYLSRUSA-N
MW468.55 g/mol
LogP4.97
Rot. Bonds8

About (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 126673423) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID126673423
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCOC(=O)N(CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-21(23(29)30)15-9-10-16-28(25(32)33-4)22-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h5-8,11-14,21-22H,9-10,15-16H2,1-4H3,(H,27,31)(H,29,30)/t21-/m1/s1
InChIKeyLDZGHGCQQXDIIT-OAQYLSRUSA-N
XLogP4.97
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid with MolForge

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Related Compounds

(2R,7R)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 10698505
tert-butyl N-methylcarbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid
CID 131676601
methyl N-[(5S)-5-[[(2S)-1-[(E,2S,5S)-2-benzyl-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoyl]pyrrolidine-2-carbonyl]amino]-6-oxo-6-(propan-2-ylamino)hexyl]-N-(9H-fluoren-9-yl)carbamate
CID 175028626
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[phenylmethoxycarbonyl(propan-2-yl)amino]hexanoic acid
CID 14840639
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
(2S)-5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118247237
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenoxypentanoic acid
CID 10086647
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxy]hexanoic acid
CID 124522591
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]hexanoic acid
CID 155885833
tert-butyl N-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate
CID 135015939
(2S)-4-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14506226
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]hexanoic acid
CID 155885797

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 126673423) is (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is COC(=O)N(CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is LDZGHGCQQXDIIT-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-21(23(29)30)15-9-10-16-28(25(32)33-4)22-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h5-8,11-14,21-22H,9-10,15-16H2,1-4H3,(H,27,31)(H,29,30)/t21-/m1/s1.
What are the key properties of (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 468.55 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[9H-fluoren-9-yl(methoxycarbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 126673423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).