methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate

C13H19NO4 — CID 114822096

IUPACmethyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1coc(C)c1)C(=O)OC
InChIInChI=1S/C13H19NO4/c1-5-6-13(3,12(16)17-4)14-11(15)10-7-9(2)18-8-10/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyWWQFWLBWERHLLL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate

methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate (PubChem CID 114822096) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
PubChem CID114822096
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1coc(C)c1)C(=O)OC
InChIInChI=1S/C13H19NO4/c1-5-6-13(3,12(16)17-4)14-11(15)10-7-9(2)18-8-10/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyWWQFWLBWERHLLL-UHFFFAOYSA-N
XLogP2.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 114819103
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpentanoate
CID 49159358
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
methyl 2-methyl-2-[(6-methyl-1H-indole-2-carbonyl)amino]pentanoate
CID 60581935

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate (CID 114822096) is methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate is CCCC(C)(NC(=O)c1coc(C)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate?
The InChIKey is WWQFWLBWERHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-6-13(3,12(16)17-4)14-11(15)10-7-9(2)18-8-10/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate?
methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate has a molecular weight of 253.30 g/mol, XLogP of 2.05, 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-[(5-methylfuran-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 114822096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).