2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride

C10H19ClN2O3 — CID 67886019

IUPAC2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride
SMILESCC(C)COC(=O)CCC1NCC(=O)N1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H
InChIKeyKJSNSURWGSKBQU-UHFFFAOYSA-N
MW250.73 g/mol
LogP0.43
Rot. Bonds5

About 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride

2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride (PubChem CID 67886019) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride.

Molecular Properties

Compound Name2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride
PubChem CID67886019
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Name2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride
SMILESCC(C)COC(=O)CCC1NCC(=O)N1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H
InChIKeyKJSNSURWGSKBQU-UHFFFAOYSA-N
XLogP0.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride?
The IUPAC name of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride (CID 67886019) is 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride.
What is the SMILES notation for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride?
The canonical SMILES for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride is CC(C)COC(=O)CCC1NCC(=O)N1.Cl.
What is the InChIKey of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride?
The InChIKey is KJSNSURWGSKBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride?
2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride is sourced from PubChem (CID 67886019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).