ethyl 2-[methyl(propan-2-yl)amino]butanoate

C10H21NO2 — CID 64660850

IUPACethyl 2-[methyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-9(10(12)13-7-2)11(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyYBGNRTWMKRATLY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds5

About ethyl 2-[methyl(propan-2-yl)amino]butanoate

ethyl 2-[methyl(propan-2-yl)amino]butanoate (PubChem CID 64660850) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 2-[methyl(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(propan-2-yl)amino]butanoate
PubChem CID64660850
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 2-[methyl(propan-2-yl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-9(10(12)13-7-2)11(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyYBGNRTWMKRATLY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]butanoate?
The IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]butanoate (CID 64660850) is ethyl 2-[methyl(propan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 2-[methyl(propan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 2-[methyl(propan-2-yl)amino]butanoate is CCOC(=O)C(CC)N(C)C(C)C.
What is the InChIKey of ethyl 2-[methyl(propan-2-yl)amino]butanoate?
The InChIKey is YBGNRTWMKRATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-9(10(12)13-7-2)11(5)8(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[methyl(propan-2-yl)amino]butanoate?
ethyl 2-[methyl(propan-2-yl)amino]butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(propan-2-yl)amino]butanoate is sourced from PubChem (CID 64660850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).