methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate

C11H23NO2 — CID 10375564

IUPACmethyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)(C)NC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)12-11(4,5)7-9(3)10(13)14-6/h8-9,12H,7H2,1-6H3
InChIKeyJVVAGWKBEHAHSB-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds5

About methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate

methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate (PubChem CID 10375564) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate
PubChem CID10375564
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)(C)NC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)12-11(4,5)7-9(3)10(13)14-6/h8-9,12H,7H2,1-6H3
InChIKeyJVVAGWKBEHAHSB-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate (CID 10375564) is methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate is COC(=O)C(C)CC(C)(C)NC(C)C.
What is the InChIKey of methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate?
The InChIKey is JVVAGWKBEHAHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)12-11(4,5)7-9(3)10(13)14-6/h8-9,12H,7H2,1-6H3.
What are the key properties of methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate?
methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-4-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 10375564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).