methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate

C12H18N2O3 — CID 167446055

IUPACmethyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)n1cccc(N)c1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)7-10(12(16)17-3)14-6-4-5-9(13)11(14)15/h4-6,8,10H,7,13H2,1-3H3
InChIKeyYNXASACMNKFJDY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate

methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate (PubChem CID 167446055) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
PubChem CID167446055
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)n1cccc(N)c1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)7-10(12(16)17-3)14-6-4-5-9(13)11(14)15/h4-6,8,10H,7,13H2,1-3H3
InChIKeyYNXASACMNKFJDY-UHFFFAOYSA-N
XLogP1.19
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-cyclopropyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]propanoate
CID 154720980
methyl (2S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-4-methylpentanoate
CID 51681571
Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 86982612
Methyl 4-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 133819270
(S)-2-(3-Amino-2-oxo-2H-pyridin-1-yl)-butyric acid tert-butyl ester
CID 60129041
Tert-butyl 2-(3-amino-2-oxo-1-pyridinyl)butanoate
CID 66696853
Methyl (2-(3-amino-2-oxopyridin-1(2H)-yl)ethyl)prolinate
CID 138585402
Methyl (2-(3-amino-2-oxopyridin-1(2H)-yl)ethyl)-D-prolinate
CID 138601205
Methyl (2-(3-amino-2-oxopyridin-1(2H)-yl)ethyl)-L-prolinate
CID 138601211
Ethyl 2-[4-[(dimethylamino)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579847
Ethyl 2-[3-(2-aminoethyl)-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 139579934
ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
CID 145427296

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate?
The IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate (CID 167446055) is methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate?
The canonical SMILES for methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate is COC(=O)C(CC(C)C)n1cccc(N)c1=O.
What is the InChIKey of methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate?
The InChIKey is YNXASACMNKFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)7-10(12(16)17-3)14-6-4-5-9(13)11(14)15/h4-6,8,10H,7,13H2,1-3H3.
What are the key properties of methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate?
methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate has a molecular weight of 238.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate is sourced from PubChem (CID 167446055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).