methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate

C13H18N2O3 — CID 43431377

IUPACmethyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
SMILESCCCC(C)(NC(=O)c1ccncc1)C(=O)OC
InChIInChI=1S/C13H18N2O3/c1-4-7-13(2,12(17)18-3)15-11(16)10-5-8-14-9-6-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyPFWYTTYEIJTSPY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate

methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate (PubChem CID 43431377) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
PubChem CID43431377
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
SMILESCCCC(C)(NC(=O)c1ccncc1)C(=O)OC
InChIInChI=1S/C13H18N2O3/c1-4-7-13(2,12(17)18-3)15-11(16)10-5-8-14-9-6-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyPFWYTTYEIJTSPY-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
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
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methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
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-(pyrimidin-4-ylamino)pentanoate
CID 62007006
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
CID 78945933

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate (CID 43431377) is methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate is CCCC(C)(NC(=O)c1ccncc1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate?
The InChIKey is PFWYTTYEIJTSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-7-13(2,12(17)18-3)15-11(16)10-5-8-14-9-6-10/h5-6,8-9H,4,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate?
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate has a molecular weight of 250.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate is sourced from PubChem (CID 43431377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).