methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate

C12H18N2O3 — CID 18690859

IUPACmethyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate
SMILESCCCCc1ccc(N)c(=O)n1CC(=O)OC
InChIInChI=1S/C12H18N2O3/c1-3-4-5-9-6-7-10(13)12(16)14(9)8-11(15)17-2/h6-7H,3-5,8,13H2,1-2H3
InChIKeyFRUAXPAGXVSIPH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.95
Rot. Bonds5

About methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate

methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate (PubChem CID 18690859) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate
PubChem CID18690859
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate
SMILESCCCCc1ccc(N)c(=O)n1CC(=O)OC
InChIInChI=1S/C12H18N2O3/c1-3-4-5-9-6-7-10(13)12(16)14(9)8-11(15)17-2/h6-7H,3-5,8,13H2,1-2H3
InChIKeyFRUAXPAGXVSIPH-UHFFFAOYSA-N
XLogP0.95
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3-amino-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)acetate
CID 1384057
2-(3-Amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
CID 18323861
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
CID 18469002
Methyl2-(3-amino-6-methyl-2-oxopyridin-1(2H)-yl)acetate
CID 18690857
Tert-butyl 2-(3-amino-6-cyclopropyl-2-oxo-1-pyridinyl)acetate
CID 20641872
3-Amino-6-isopropyl-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 22178631
Tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
CID 22943473
Tert-butyl 2-[3-amino-6-(2-methylpropyl)-2-oxo-1-pyridinyl]acetate
CID 22943474
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)propanoic acid
CID 53919879
Methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate
CID 144564395
Ethane;methyl 2-(2-ethyl-6-oxo-1-pyridinyl)acetate
CID 144564470
Methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate
CID 164559034

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate (CID 18690859) is methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate is CCCCc1ccc(N)c(=O)n1CC(=O)OC.
What is the InChIKey of methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is FRUAXPAGXVSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-5-9-6-7-10(13)12(16)14(9)8-11(15)17-2/h6-7H,3-5,8,13H2,1-2H3.
What are the key properties of methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 238.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-6-butyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 18690859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).