methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate

C14H22N2O2 — CID 126813614

IUPACmethyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
SMILESCCC(C)C(NCCc1ccncc1)C(=O)OC
InChIInChI=1S/C14H22N2O2/c1-4-11(2)13(14(17)18-3)16-10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyVJAKHBZIDQQVIS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds7

About methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate

methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate (PubChem CID 126813614) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
PubChem CID126813614
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
SMILESCCC(C)C(NCCc1ccncc1)C(=O)OC
InChIInChI=1S/C14H22N2O2/c1-4-11(2)13(14(17)18-3)16-10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3
InChIKeyVJAKHBZIDQQVIS-UHFFFAOYSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
CID 141217094
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
methyl 2-[(3,4-dimethylphenyl)methylamino]-3-methylpentanoate
CID 43788486
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate (CID 126813614) is methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate is CCC(C)C(NCCc1ccncc1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate?
The InChIKey is VJAKHBZIDQQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(2)13(14(17)18-3)16-10-7-12-5-8-15-9-6-12/h5-6,8-9,11,13,16H,4,7,10H2,1-3H3.
What are the key properties of methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate?
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate has a molecular weight of 250.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate is sourced from PubChem (CID 126813614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).