methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride

C11H23ClN2O3 — CID 119344210

IUPACmethyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)CCN.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-4-11(5-2,8-10(15)16-3)13-9(14)6-7-12;/h4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMYBXAUVSMWFULC-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.00
Rot. Bonds7

About methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride

methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride (PubChem CID 119344210) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride
PubChem CID119344210
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Namemethyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride
SMILESCCC(CC)(CC(=O)OC)NC(=O)CCN.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-4-11(5-2,8-10(15)16-3)13-9(14)6-7-12;/h4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyMYBXAUVSMWFULC-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride?
The IUPAC name of methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride (CID 119344210) is methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride?
The canonical SMILES for methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride is CCC(CC)(CC(=O)OC)NC(=O)CCN.Cl.
What is the InChIKey of methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride?
The InChIKey is MYBXAUVSMWFULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-4-11(5-2,8-10(15)16-3)13-9(14)6-7-12;/h4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride?
methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopropanoylamino)-3-ethylpentanoate;hydrochloride is sourced from PubChem (CID 119344210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).