methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate

C26H30N2O2 — CID 142662042

IUPACmethyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-20(2)19-24(25(29)30-3)27-28-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24,27-28H,19H2,1-3H3/t24-/m0/s1
InChIKeyJBMBTJSKNHBXNT-DEOSSOPVSA-N
MW402.54 g/mol
LogP4.66
Rot. Bonds9

About methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate

methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate (PubChem CID 142662042) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
PubChem CID142662042
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Namemethyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-20(2)19-24(25(29)30-3)27-28-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24,27-28H,19H2,1-3H3/t24-/m0/s1
InChIKeyJBMBTJSKNHBXNT-DEOSSOPVSA-N
XLogP4.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-phenyl-2-(2-tritylhydrazinyl)propanoate
CID 142662047
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
methyl 4-methyl-2-[(3-methyl-2-phenylbutyl)amino]pentanoate
CID 107875948
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate (CID 142662042) is methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate is COC(=O)[C@H](CC(C)C)NNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate?
The InChIKey is JBMBTJSKNHBXNT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20(2)19-24(25(29)30-3)27-28-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24,27-28H,19H2,1-3H3/t24-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate?
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate has a molecular weight of 402.54 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate is sourced from PubChem (CID 142662042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).