methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate

C13H18N2O4 — CID 70798097

IUPACmethyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate
SMILESCCC(C)Oc1ccc(C(=O)NCC(=O)OC)nc1
InChIInChI=1S/C13H18N2O4/c1-4-9(2)19-10-5-6-11(14-7-10)13(17)15-8-12(16)18-3/h5-7,9H,4,8H2,1-3H3,(H,15,17)
InChIKeyHBDRPVHBFDJUOL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.16
Rot. Bonds6

About methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate

methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate (PubChem CID 70798097) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate
PubChem CID70798097
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate
SMILESCCC(C)Oc1ccc(C(=O)NCC(=O)OC)nc1
InChIInChI=1S/C13H18N2O4/c1-4-9(2)19-10-5-6-11(14-7-10)13(17)15-8-12(16)18-3/h5-7,9H,4,8H2,1-3H3,(H,15,17)
InChIKeyHBDRPVHBFDJUOL-UHFFFAOYSA-N
XLogP1.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
N-(2-amino-2-oxoethyl)-5-methoxypyridine-2-carboxamide
CID 70798134
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
N-ethyl-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 174990396
methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
CID 19970558
2-methyl-1-[5-[4-(propan-2-ylamino)butan-2-yloxy]-2-pyridinyl]butan-1-one
CID 146607017
5-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 79794427
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
2-(4-butan-2-yloxyphenoxy)ethylcarbamothioic S-acid
CID 88525877
5-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794170
4-butan-2-yloxybenzoic acid
CID 5132695

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate (CID 70798097) is methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate is CCC(C)Oc1ccc(C(=O)NCC(=O)OC)nc1.
What is the InChIKey of methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate?
The InChIKey is HBDRPVHBFDJUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-9(2)19-10-5-6-11(14-7-10)13(17)15-8-12(16)18-3/h5-7,9H,4,8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate?
methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate has a molecular weight of 266.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-butan-2-yloxypyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 70798097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).