methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate

C11H19NO4 — CID 19010953

IUPACmethyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CCCO1)C(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-16-8/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyJKSGLKGVEWWJTA-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.48
Rot. Bonds4

About methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate

methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate (PubChem CID 19010953) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
PubChem CID19010953
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)C1CCCO1)C(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-16-8/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyJKSGLKGVEWWJTA-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103873195
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
methyl (2S)-3,3-dimethyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoate
CID 96507792
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
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate (CID 19010953) is methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate is COC(=O)C(NC(=O)C1CCCO1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate?
The InChIKey is JKSGLKGVEWWJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-16-8/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate?
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate has a molecular weight of 229.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate is sourced from PubChem (CID 19010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).