methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate

C10H17NO4 — CID 105468455

IUPACmethyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
SMILESCOC(=O)C(N)CC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-14-10(13)8(11)5-9(12)7-3-2-4-15-6-7/h7-8H,2-6,11H2,1H3
InChIKeyLXMUFHIJMYZSJF-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.13
Rot. Bonds4

About methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate

methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate (PubChem CID 105468455) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
PubChem CID105468455
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
SMILESCOC(=O)C(N)CC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-14-10(13)8(11)5-9(12)7-3-2-4-15-6-7/h7-8H,2-6,11H2,1H3
InChIKeyLXMUFHIJMYZSJF-UHFFFAOYSA-N
XLogP-0.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-1-(oxan-3-yl)butan-1-one
CID 107138525
2-methyl-4-(oxan-3-yl)-4-oxobutanoic acid
CID 63738780
methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate
CID 165483528
2-(2-methoxyethylamino)-1-(oxan-3-yl)ethanone
CID 107138436
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
1-(oxan-3-yl)pentan-1-one
CID 65332332
methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate
CID 167817612
4-amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138368
propyl 4-(oxan-3-yl)-4-oxobutanoate
CID 63738945
methyl 2-(oxan-3-yl)prop-2-enoate
CID 117266894
3-(dimethylamino)-1-(oxan-3-yl)propan-1-one
CID 107135975

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate?
The IUPAC name of methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate (CID 105468455) is methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate?
The canonical SMILES for methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate is COC(=O)C(N)CC(=O)C1CCCOC1.
What is the InChIKey of methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate?
The InChIKey is LXMUFHIJMYZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-10(13)8(11)5-9(12)7-3-2-4-15-6-7/h7-8H,2-6,11H2,1H3.
What are the key properties of methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate?
methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate has a molecular weight of 215.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate is sourced from PubChem (CID 105468455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).