2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid

C29H32N2O4 — CID 118936086

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid
SMILESCN(CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CCc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-31(19-17-21-10-3-2-4-11-21)18-9-16-27(28(32)33)30-29(34)35-20-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,26-27H,9,16-20H2,1H3,(H,30,34)(H,32,33)
InChIKeyBPXBTPHWWGKKTH-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.93
Rot. Bonds11

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid (PubChem CID 118936086) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid
PubChem CID118936086
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid
SMILESCN(CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CCc1ccccc1
InChIInChI=1S/C29H32N2O4/c1-31(19-17-21-10-3-2-4-11-21)18-9-16-27(28(32)33)30-29(34)35-20-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,26-27H,9,16-20H2,1H3,(H,30,34)(H,32,33)
InChIKeyBPXBTPHWWGKKTH-UHFFFAOYSA-N
XLogP4.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
CID 154726183
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylphenyl)pentanoic acid
CID 154726742
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(4-fluorophenyl)hexanoic acid
CID 171702896
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[methyl(prop-2-enoxycarbonyl)amino]hexanoic acid
CID 172529148
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid (CID 118936086) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid is CN(CCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)CCc1ccccc1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid?
The InChIKey is BPXBTPHWWGKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-31(19-17-21-10-3-2-4-11-21)18-9-16-27(28(32)33)30-29(34)35-20-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,26-27H,9,16-20H2,1H3,(H,30,34)(H,32,33).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid has a molecular weight of 472.59 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid is sourced from PubChem (CID 118936086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).