methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate

C10H17NO4 — CID 112511188

IUPACmethyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
SMILESCOC(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C10H17NO4/c1-14-10(13)5-4-9(12)11-7-8-3-2-6-15-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyAYZNWMSPOSZBFJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.23
Rot. Bonds5

About methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate

methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate (PubChem CID 112511188) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
PubChem CID112511188
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
SMILESCOC(=O)CCC(=O)NCC1CCCO1
InChIInChI=1S/C10H17NO4/c1-14-10(13)5-4-9(12)11-7-8-3-2-6-15-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyAYZNWMSPOSZBFJ-UHFFFAOYSA-N
XLogP0.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
methyl 4-oxo-4-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 42580218
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119726630
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate?
The IUPAC name of methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate (CID 112511188) is methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate is COC(=O)CCC(=O)NCC1CCCO1.
What is the InChIKey of methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate?
The InChIKey is AYZNWMSPOSZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-10(13)5-4-9(12)11-7-8-3-2-6-15-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate?
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate has a molecular weight of 215.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate is sourced from PubChem (CID 112511188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).