methyl 3-[di(propan-2-yl)amino]butanoate

C11H23NO2 — CID 14092668

IUPACmethyl 3-[di(propan-2-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)12(9(3)4)10(5)7-11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyUREIANFHGHFSGJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds5

About methyl 3-[di(propan-2-yl)amino]butanoate

methyl 3-[di(propan-2-yl)amino]butanoate (PubChem CID 14092668) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-[di(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[di(propan-2-yl)amino]butanoate
PubChem CID14092668
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-[di(propan-2-yl)amino]butanoate
SMILESCOC(=O)CC(C)N(C(C)C)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)12(9(3)4)10(5)7-11(13)14-6/h8-10H,7H2,1-6H3
InChIKeyUREIANFHGHFSGJ-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[di(propan-2-yl)amino]butanoate?
The IUPAC name of methyl 3-[di(propan-2-yl)amino]butanoate (CID 14092668) is methyl 3-[di(propan-2-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[di(propan-2-yl)amino]butanoate?
The canonical SMILES for methyl 3-[di(propan-2-yl)amino]butanoate is COC(=O)CC(C)N(C(C)C)C(C)C.
What is the InChIKey of methyl 3-[di(propan-2-yl)amino]butanoate?
The InChIKey is UREIANFHGHFSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)12(9(3)4)10(5)7-11(13)14-6/h8-10H,7H2,1-6H3.
What are the key properties of methyl 3-[di(propan-2-yl)amino]butanoate?
methyl 3-[di(propan-2-yl)amino]butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[di(propan-2-yl)amino]butanoate is sourced from PubChem (CID 14092668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).