methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate

C12H18N2O2 — CID 104823955

IUPACmethyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
SMILESCOC(=O)CC(c1ccc(C)nc1)C(C)N
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(7-14-8)11(9(2)13)6-12(15)16-3/h4-5,7,9,11H,6,13H2,1-3H3
InChIKeyGXKCJRAFMRRTPJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds4

About methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate

methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate (PubChem CID 104823955) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
PubChem CID104823955
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
SMILESCOC(=O)CC(c1ccc(C)nc1)C(C)N
InChIInChI=1S/C12H18N2O2/c1-8-4-5-10(7-14-8)11(9(2)13)6-12(15)16-3/h4-5,7,9,11H,6,13H2,1-3H3
InChIKeyGXKCJRAFMRRTPJ-UHFFFAOYSA-N
XLogP1.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
CID 66097697
methyl 4-amino-3-[4-(trifluoromethyl)phenyl]pentanoate
CID 66098530
methyl 3-methyl-2-(6-methyl-3-pyridinyl)butanoate
CID 63158206
methyl (3S)-3-amino-3-(6-bromo-3-pyridinyl)propanoate
CID 165494395
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
carbon dioxide;methyl (3R)-2-methyl-3-(6-methyl-3-pyridinyl)-4-nitrobutanoate
CID 162137770
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
methyl 4-amino-3-pyridin-3-ylhexanoate
CID 66097725
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate?
The IUPAC name of methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate (CID 104823955) is methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate.
What is the SMILES notation for methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate?
The canonical SMILES for methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate is COC(=O)CC(c1ccc(C)nc1)C(C)N.
What is the InChIKey of methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate?
The InChIKey is GXKCJRAFMRRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-10(7-14-8)11(9(2)13)6-12(15)16-3/h4-5,7,9,11H,6,13H2,1-3H3.
What are the key properties of methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate?
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate has a molecular weight of 222.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate is sourced from PubChem (CID 104823955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).