methyl 2-methyl-4-(pentan-3-ylamino)pentanoate

C12H25NO2 — CID 104645983

IUPACmethyl 2-methyl-4-(pentan-3-ylamino)pentanoate
SMILESCCC(CC)NC(C)CC(C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-11(7-2)13-10(4)8-9(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyZRGJGJOAIAUKMV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds7

About methyl 2-methyl-4-(pentan-3-ylamino)pentanoate

methyl 2-methyl-4-(pentan-3-ylamino)pentanoate (PubChem CID 104645983) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 2-methyl-4-(pentan-3-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(pentan-3-ylamino)pentanoate
PubChem CID104645983
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 2-methyl-4-(pentan-3-ylamino)pentanoate
SMILESCCC(CC)NC(C)CC(C)C(=O)OC
InChIInChI=1S/C12H25NO2/c1-6-11(7-2)13-10(4)8-9(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3
InChIKeyZRGJGJOAIAUKMV-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(pentan-3-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-(pentan-3-ylamino)pentanoate (CID 104645983) is methyl 2-methyl-4-(pentan-3-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-(pentan-3-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-(pentan-3-ylamino)pentanoate is CCC(CC)NC(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-4-(pentan-3-ylamino)pentanoate?
The InChIKey is ZRGJGJOAIAUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(7-2)13-10(4)8-9(3)12(14)15-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of methyl 2-methyl-4-(pentan-3-ylamino)pentanoate?
methyl 2-methyl-4-(pentan-3-ylamino)pentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(pentan-3-ylamino)pentanoate is sourced from PubChem (CID 104645983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).