methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate

C13H20N2O2 — CID 62254768

IUPACmethyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ncccc1C
InChIInChI=1S/C13H20N2O2/c1-9(2)8-11(13(16)17-4)15-12-10(3)6-5-7-14-12/h5-7,9,11H,8H2,1-4H3,(H,14,15)
InChIKeyXTRAZXXBWGWKTM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.39
Rot. Bonds5

About methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate

methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate (PubChem CID 62254768) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
PubChem CID62254768
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1ncccc1C
InChIInChI=1S/C13H20N2O2/c1-9(2)8-11(13(16)17-4)15-12-10(3)6-5-7-14-12/h5-7,9,11H,8H2,1-4H3,(H,14,15)
InChIKeyXTRAZXXBWGWKTM-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
CID 62375037
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
tert-butyl (2S)-4-methyl-2-[(3-nitro-2-pyridinyl)amino]pentanoate
CID 71565361
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
methyl 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentanoate
CID 66339909
methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80904150
methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80811791

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate (CID 62254768) is methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1ncccc1C.
What is the InChIKey of methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate?
The InChIKey is XTRAZXXBWGWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)8-11(13(16)17-4)15-12-10(3)6-5-7-14-12/h5-7,9,11H,8H2,1-4H3,(H,14,15).
What are the key properties of methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate?
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate has a molecular weight of 236.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate is sourced from PubChem (CID 62254768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).