ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate

C11H23NO3 — CID 112691084

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-14-10(13)9(2)12-7-8-15-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeySCIGMLINFCOXJU-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds6

About ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate

ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate (PubChem CID 112691084) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
PubChem CID112691084
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-14-10(13)9(2)12-7-8-15-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeySCIGMLINFCOXJU-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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 (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
CID 172703702
CID 172703702
ethyl 2-(heptylamino)propanoate
CID 61498650
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
ethyl 2-(4,4,4-trifluorobutylamino)propanoate
CID 79040997
ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
CID 62540120
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
CID 112588775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate (CID 112691084) is ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate is CCOC(=O)C(C)NCCOC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate?
The InChIKey is SCIGMLINFCOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-14-10(13)9(2)12-7-8-15-11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate?
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate is sourced from PubChem (CID 112691084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).