benzyl 2-(ethylamino)-4-methylpentanoate

C15H23NO2 — CID 142463414

IUPACbenzyl 2-(ethylamino)-4-methylpentanoate
SMILESCCNC(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16-14(10-12(2)3)15(17)18-11-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyXWUHTBHDIJPXAG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.75
Rot. Bonds7

About benzyl 2-(ethylamino)-4-methylpentanoate

benzyl 2-(ethylamino)-4-methylpentanoate (PubChem CID 142463414) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is benzyl 2-(ethylamino)-4-methylpentanoate.

Molecular Properties

Compound Namebenzyl 2-(ethylamino)-4-methylpentanoate
PubChem CID142463414
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebenzyl 2-(ethylamino)-4-methylpentanoate
SMILESCCNC(CC(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-16-14(10-12(2)3)15(17)18-11-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyXWUHTBHDIJPXAG-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoylamino]pentanoate
CID 14842513
benzyl (2R)-2-(ethylamino)-3-hydroxypropanoate
CID 154332295
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl (2S)-2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-4-methylpentanoate
CID 18597312
benzyl 2-(ethylamino)-4-(methylamino)butanoate
CID 138598569
benzyl (2R)-4-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]pentanoate
CID 59779081
benzyl (2S)-2-(decylcarbamoylamino)-4-methylpentanoate
CID 91350723
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
CID 7408458
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(2S)-4-methyl-2-[[(2R)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]pentanoic acid
CID 10064687
benzyl (2S)-4-methyl-2-[(2-oxo-4-phenylbutanoyl)amino]pentanoate
CID 10894222
benzyl (2S)-2-[[(2R)-2-amino-2-cyclopentylacetyl]amino]-4-methylpentanoate
CID 10665277

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(ethylamino)-4-methylpentanoate?
The IUPAC name of benzyl 2-(ethylamino)-4-methylpentanoate (CID 142463414) is benzyl 2-(ethylamino)-4-methylpentanoate.
What is the SMILES notation for benzyl 2-(ethylamino)-4-methylpentanoate?
The canonical SMILES for benzyl 2-(ethylamino)-4-methylpentanoate is CCNC(CC(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(ethylamino)-4-methylpentanoate?
The InChIKey is XWUHTBHDIJPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16-14(10-12(2)3)15(17)18-11-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3.
What are the key properties of benzyl 2-(ethylamino)-4-methylpentanoate?
benzyl 2-(ethylamino)-4-methylpentanoate has a molecular weight of 249.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(ethylamino)-4-methylpentanoate is sourced from PubChem (CID 142463414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).