methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate

C11H20N2O4 — CID 66260426

IUPACmethyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
SMILESCCNC1COCC1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H20N2O4/c1-4-12-9-7-17-6-8(9)11(15)13(2)5-10(14)16-3/h8-9,12H,4-7H2,1-3H3
InChIKeyOZYHFYFXZPGDDG-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.76
Rot. Bonds5

About methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate

methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate (PubChem CID 66260426) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
PubChem CID66260426
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
SMILESCCNC1COCC1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H20N2O4/c1-4-12-9-7-17-6-8(9)11(15)13(2)5-10(14)16-3/h8-9,12H,4-7H2,1-3H3
InChIKeyOZYHFYFXZPGDDG-UHFFFAOYSA-N
XLogP-0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
CID 66259275
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propyloxolane-3-carboxamide
CID 66259680
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258493
4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66260067
4-(ethylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)oxolane-3-carboxamide
CID 66259105
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate (CID 66260426) is methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate is CCNC1COCC1C(=O)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate?
The InChIKey is OZYHFYFXZPGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-12-9-7-17-6-8(9)11(15)13(2)5-10(14)16-3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate?
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate is sourced from PubChem (CID 66260426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).