ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate

C11H23NO3 — CID 62540120

IUPACethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NCCOC)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)9(11(2,3)4)12-7-8-14-5/h9,12H,6-8H2,1-5H3
InChIKeyIOOPGVCTIQHHFL-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.20
Rot. Bonds6

About ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate

ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate (PubChem CID 62540120) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
PubChem CID62540120
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NCCOC)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-15-10(13)9(11(2,3)4)12-7-8-14-5/h9,12H,6-8H2,1-5H3
InChIKeyIOOPGVCTIQHHFL-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
ethyl (2S)-2-(methanesulfonamido)-3,3-dimethylbutanoate
CID 15321974
butyl 2-(ethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91713763
tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730277
decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730274
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate (CID 62540120) is ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate is CCOC(=O)C(NCCOC)C(C)(C)C.
What is the InChIKey of ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate?
The InChIKey is IOOPGVCTIQHHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-15-10(13)9(11(2,3)4)12-7-8-14-5/h9,12H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate?
ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate is sourced from PubChem (CID 62540120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).