ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride

C11H23ClN2O3 — CID 120500337

IUPACethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-6-16-10(15)11(4,5)13-9(14)7(2)8(3)12;/h7-8H,6,12H2,1-5H3,(H,13,14);1H
InChIKeyNJTMVFUFAYWKHH-UHFFFAOYSA-N
MW266.77 g/mol
LogP0.85
Rot. Bonds5

About ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride

ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride (PubChem CID 120500337) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
PubChem CID120500337
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Nameethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-6-16-10(15)11(4,5)13-9(14)7(2)8(3)12;/h7-8H,6,12H2,1-5H3,(H,13,14);1H
InChIKeyNJTMVFUFAYWKHH-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride (CID 120500337) is ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)(C)NC(=O)C(C)C(C)N.Cl.
What is the InChIKey of ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The InChIKey is NJTMVFUFAYWKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-6-16-10(15)11(4,5)13-9(14)7(2)8(3)12;/h7-8H,6,12H2,1-5H3,(H,13,14);1H.
What are the key properties of ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 120500337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).