methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate

C13H18N2O4 — CID 113257157

IUPACmethyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc[nH]c(=O)c1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19-3)15-11(17)9-5-7-14-10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRQGNIRHLJSNAHD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate (PubChem CID 113257157) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
PubChem CID113257157
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc[nH]c(=O)c1)C(=O)OC
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19-3)15-11(17)9-5-7-14-10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRQGNIRHLJSNAHD-UHFFFAOYSA-N
XLogP0.84
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
CID 49159358
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
methyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylpentanoate
CID 43623906
N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
CID 55670323

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate (CID 113257157) is methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1cc[nH]c(=O)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate?
The InChIKey is RQGNIRHLJSNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-6-13(2,12(18)19-3)15-11(17)9-5-7-14-10(16)8-9/h5,7-8H,4,6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate has a molecular weight of 266.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 113257157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).