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

C15H22N2O3 — CID 107148609

IUPACmethyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cc1ncccc1C
InChIInChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20-4)17-14(18)9-12-11(3)6-5-7-16-12/h5-7,10,13H,8-9H2,1-4H3,(H,17,18)
InChIKeyZXXCFBMESAWKGV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.64
Rot. Bonds6

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

methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate (PubChem CID 107148609) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
PubChem CID107148609
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cc1ncccc1C
InChIInChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20-4)17-14(18)9-12-11(3)6-5-7-16-12/h5-7,10,13H,8-9H2,1-4H3,(H,17,18)
InChIKeyZXXCFBMESAWKGV-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 107147066
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate (CID 107148609) is methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Cc1ncccc1C.
What is the InChIKey of methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate?
The InChIKey is ZXXCFBMESAWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20-4)17-14(18)9-12-11(3)6-5-7-16-12/h5-7,10,13H,8-9H2,1-4H3,(H,17,18).
What are the key properties of methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate has a molecular weight of 278.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate is sourced from PubChem (CID 107148609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).