2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate

C17H25NO3 — CID 91710865

IUPAC2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCC(C)COC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c1-14(2)13-21-17(20)11-7-10-16(19)18(3)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3
InChIKeyPPJGPPYNXBYACX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.01
Rot. Bonds8

About 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate

2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate (PubChem CID 91710865) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
PubChem CID91710865
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCC(C)COC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H25NO3/c1-14(2)13-21-17(20)11-7-10-16(19)18(3)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3
InChIKeyPPJGPPYNXBYACX-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
Ethyl 1-(2-methylbenzyl)-3-piperidinecarboxylate
CID 2837947
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130
Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
Ethyl 5-(benzylamino)pentanoate hydrochloride
CID 6602878
5-(Dibenzylamino)-5-oxopentanoic acid
CID 2173499
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
Methyl 1-benzylpiperidine-3-carboxylate
CID 10059878
Methyl 5-{3-[methyl(2-phenylethyl)amino]piperidin-1-yl}-5-oxopentanoate
CID 23723362
Methyl 5-(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoate
CID 23723631
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
1-Benzyl-6-oxopiperidine-3-carboxylic acid
CID 10353926

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The IUPAC name of 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate (CID 91710865) is 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate.
What is the SMILES notation for 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The canonical SMILES for 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate is CC(C)COC(=O)CCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The InChIKey is PPJGPPYNXBYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(2)13-21-17(20)11-7-10-16(19)18(3)12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3.
What are the key properties of 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate has a molecular weight of 291.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate is sourced from PubChem (CID 91710865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).