methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate

C12H21NO4 — CID 79762794

IUPACmethyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCOC1C
InChIInChI=1S/C12H21NO4/c1-4-13(7-5-11(14)16-3)12(15)10-6-8-17-9(10)2/h9-10H,4-8H2,1-3H3
InChIKeyKKTSPCLLVSLVDB-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds5

About methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate

methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate (PubChem CID 79762794) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
PubChem CID79762794
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CCOC1C
InChIInChI=1S/C12H21NO4/c1-4-13(7-5-11(14)16-3)12(15)10-6-8-17-9(10)2/h9-10H,4-8H2,1-3H3
InChIKeyKKTSPCLLVSLVDB-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
methyl 3-[ethyl-(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
CID 65160102
(2R,3R)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399564
(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399565
methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
CID 78971411
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736
methyl 3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]propanoate
CID 61011308
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
CID 79750666
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
3-[ethyl-[(2-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82727894
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate (CID 79762794) is methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)C1CCOC1C.
What is the InChIKey of methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate?
The InChIKey is KKTSPCLLVSLVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-13(7-5-11(14)16-3)12(15)10-6-8-17-9(10)2/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate?
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 79762794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).