2-methyl-2-(oxane-3-carbonylamino)pentanoic acid

C12H21NO4 — CID 62759574

IUPAC2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-6-12(2,11(15)16)13-10(14)9-5-4-7-17-8-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJXGVBAVQXFWDJT-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid

2-methyl-2-(oxane-3-carbonylamino)pentanoic acid (PubChem CID 62759574) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
PubChem CID62759574
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-6-12(2,11(15)16)13-10(14)9-5-4-7-17-8-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJXGVBAVQXFWDJT-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
2-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175190
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-[(3-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 66010443
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 43618865
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid
CID 154750527
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
(3R)-N-[1-(ethylcarbamoyl)cyclopentyl]oxane-3-carboxamide
CID 124737897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid (CID 62759574) is 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid is CCCC(C)(NC(=O)C1CCCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid?
The InChIKey is JXGVBAVQXFWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-6-12(2,11(15)16)13-10(14)9-5-4-7-17-8-9/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid?
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxane-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 62759574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).