ethyl 3-methyl-2-(propan-2-ylamino)pentanoate

C11H23NO2 — CID 61319138

IUPACethyl 3-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(NC(C)C)C(C)CC
InChIInChI=1S/C11H23NO2/c1-6-9(5)10(12-8(3)4)11(13)14-7-2/h8-10,12H,6-7H2,1-5H3
InChIKeyFXQXGMSCOKTXLZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds6

About ethyl 3-methyl-2-(propan-2-ylamino)pentanoate

ethyl 3-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 61319138) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 3-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID61319138
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 3-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(NC(C)C)C(C)CC
InChIInChI=1S/C11H23NO2/c1-6-9(5)10(12-8(3)4)11(13)14-7-2/h8-10,12H,6-7H2,1-5H3
InChIKeyFXQXGMSCOKTXLZ-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 3-methyl-2-(propan-2-ylamino)pentanoate (CID 61319138) is ethyl 3-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 3-methyl-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(NC(C)C)C(C)CC.
What is the InChIKey of ethyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is FXQXGMSCOKTXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-9(5)10(12-8(3)4)11(13)14-7-2/h8-10,12H,6-7H2,1-5H3.
What are the key properties of ethyl 3-methyl-2-(propan-2-ylamino)pentanoate?
ethyl 3-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 61319138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).