methyl 4-(2-methylpentan-2-ylamino)butanoate

C11H23NO2 — CID 115630932

IUPACmethyl 4-(2-methylpentan-2-ylamino)butanoate
SMILESCCCC(C)(C)NCCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-8-11(2,3)12-9-6-7-10(13)14-4/h12H,5-9H2,1-4H3
InChIKeyLCMHZBRSLPTBQH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About methyl 4-(2-methylpentan-2-ylamino)butanoate

methyl 4-(2-methylpentan-2-ylamino)butanoate (PubChem CID 115630932) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 4-(2-methylpentan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methylpentan-2-ylamino)butanoate
PubChem CID115630932
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 4-(2-methylpentan-2-ylamino)butanoate
SMILESCCCC(C)(C)NCCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-8-11(2,3)12-9-6-7-10(13)14-4/h12H,5-9H2,1-4H3
InChIKeyLCMHZBRSLPTBQH-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
methyl 5,5-dimethylundecanoate
CID 138647692
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl octadecanoate;methyl octanoate
CID 157178883
ethane;methyl hexanoate
CID 159004993
methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpentan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(2-methylpentan-2-ylamino)butanoate (CID 115630932) is methyl 4-(2-methylpentan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(2-methylpentan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(2-methylpentan-2-ylamino)butanoate is CCCC(C)(C)NCCCC(=O)OC.
What is the InChIKey of methyl 4-(2-methylpentan-2-ylamino)butanoate?
The InChIKey is LCMHZBRSLPTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-11(2,3)12-9-6-7-10(13)14-4/h12H,5-9H2,1-4H3.
What are the key properties of methyl 4-(2-methylpentan-2-ylamino)butanoate?
methyl 4-(2-methylpentan-2-ylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpentan-2-ylamino)butanoate is sourced from PubChem (CID 115630932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).