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

C13H23NO4 — CID 55048092

IUPACmethyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCCO1
InChIInChI=1S/C13H23NO4/c1-9(2)8-10(13(16)17-3)14-12(15)11-6-4-5-7-18-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKUBNYMGSMOSOCH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.26
Rot. Bonds5

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

methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate (PubChem CID 55048092) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
PubChem CID55048092
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCCCO1
InChIInChI=1S/C13H23NO4/c1-9(2)8-10(13(16)17-3)14-12(15)11-6-4-5-7-18-11/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKUBNYMGSMOSOCH-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate (CID 55048092) is methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CCCCO1.
What is the InChIKey of methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate?
The InChIKey is KUBNYMGSMOSOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)8-10(13(16)17-3)14-12(15)11-6-4-5-7-18-11/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate?
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate has a molecular weight of 257.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate is sourced from PubChem (CID 55048092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).